Subject: errors in mopac7

From: <[email-masked]>
Date: Mon, 04 Mar 1996 15:19:02 +0200

Dear Sir,

	Would you be so kind as to help us (advise us) to correct
compile mopac7 programme on SUN computer with gcc g77 compiler ?
The warnings and errors are :

*******************************************************
block.f: In block-data `_BLOCK_DATA__':
block.f:48: warning:
         COMMON /AM1BLO/USSAM1(107), UPPAM1(107), UDDAM1(107), ZSAM1(107),
                 ^
Initialization of large (34240-unit) aggregate area `refs' at (^) currently very slow and takes lots of memory during g77 compile -- to be improved in 0.6
********************************************************
ef.f: In subroutine `ef':
ef.f:191: warning:
   70       format(1x,'WARNING! EXACTLY 3N VARIABLES. EF ASSUMES THIS IS A'
           ^
Missing comma in FORMAT statement at (^)
ef.f: In subroutine `efstr':
ef.f:590: 
            LIMSCF=.FALSE.
            1      2
Type disagreement between expressions at (1) and (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:558: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:558: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:558: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:558: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:558: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f: In subroutine `gethes':
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1023: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1023: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1023: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1023: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1023: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f: In subroutine `prthes':
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1525: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1525: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1525: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1525: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1525: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),          
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 58080 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1573: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR)
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 28800 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1573: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR)
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 28800 bytes at (2)
ef.f:45: warning:
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR),BMAT(MAXPAR,MAXPAR),
                 1
ef.f:1573: (continued):
         COMMON /NLLCOM/ HESS(MAXPAR,MAXPAR)
                 2
Common block `nllcom' is 72240 bytes in length at (1) but 28800 bytes at (2)
*************************************************************
esp.f: In subroutine `surfac':
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f:75: warning:
         COMMON /WORK1/    POTPT(3,MESP), WORK1D(4*MESP)
                 1
esp.f:207: (continued):
         COMMON /WORK1/    POTPT(3,MESP), PAD1(2*MESP), RAD(MESP),
                 2
Common block `work1' is 2800000 bytes in length at (1) but 2600000 bytes at (2)
esp.f: In block-data `espblo':
esp.f:971: warning:
         COMMON /ESPC/  CC(MAXPR),CEN(MAXPR,3),IAM(MAXPR,2),IND(MAXPR),
                 ^
Initialization of large (133584-unit) aggregate area `espc' at (^) currently very slow and takes lots of memory during g77 compile -- to be improved in 0.6
***********************************************************
flepo.f: In subroutine `flepo':
flepo.f:390: warning:
     110       FORMAT (' FUNCTION VALUE=',F13.7,
                    ^
Missing comma in FORMAT statement at (^)
************************************************************
greenf.f: In subroutine `worder':
greenf.f:508: warning:
     240 FORMAT(  1X,'THERE ARE',I4,' RECORDS EACH OF WHICH CONTAINS',I4/2X
           ^
Missing comma in FORMAT statement at (^)
greenf.f:148: warning:
         COMMON/VECTOR/C(MORB2),EIG(MAXORB),CBETA(MORB2),EIGB(MAXORB)
                1
greenf.f:961: (continued):
         COMMON/VECTOR/C(MORB2),EIG(MAXORB)
                2
Common block `vector' is 40800 bytes in length at (1) but 20400 bytes at (2)
greenf.f:148: warning:
         COMMON/VECTOR/C(MORB2),EIG(MAXORB),CBETA(MORB2),EIGB(MAXORB)
                1
greenf.f:961: (continued):
         COMMON/VECTOR/C(MORB2),EIG(MAXORB)
                2
Common block `vector' is 40800 bytes in length at (1) but 20400 bytes at (2)
greenf.f:148: warning:
         COMMON/VECTOR/C(MORB2),EIG(MAXORB),CBETA(MORB2),EIGB(MAXORB)
                1
greenf.f:961: (continued):
         COMMON/VECTOR/C(MORB2),EIG(MAXORB)
                2
Common block `vector' is 40800 bytes in length at (1) but 20400 bytes at (2)
greenf.f:148: warning:
         COMMON/VECTOR/C(MORB2),EIG(MAXORB),CBETA(MORB2),EIGB(MAXORB)
                1
greenf.f:961: (continued):
         COMMON/VECTOR/C(MORB2),EIG(MAXORB)
                2
Common block `vector' is 40800 bytes in length at (1) but 20400 bytes at (2)
*********************************************************
mopac.f: In subroutine `getdat':
mopac.f:233: 
         DATA I/0/
              1
mopac.f:234: (continued):
         SAVE I
              2
Invalid declaration of or reference to symbol `i' at (2) [initially seen at (1)]
**********************************************************
sympro.f: In subroutine `symr':
sympro.f:173: 
    210  FORMAT(X,A10,I7,8I7)
                ^
Invalid X specifier in FORMAT statement at (^) -- correct form: nX
sympro.f:176: 
    220  FORMAT(X,A10,I7,8F7.3)
                ^
Invalid X specifier in FORMAT statement at (^) -- correct form: nX
*********************************************************
*********************************************************
*********************************************************
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file bonds.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `densty_' has differing sizes:
	(file bonds.o value=0x7788; file cqden.o value=0x27d8);
	bonds.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file ef.o value=0x8);
	bonds.o definition taken
ld: warning: symbol `nllcom_' has differing sizes:
	(file ef.o value=0x11a30; file fmat.o value=0x15180);
	fmat.o definition taken
ld: warning: symbol `simbol_' has differing sizes:
	(file force.o value=0x258; file makpol.o value=0x1e0);
	force.o definition taken
ld: warning: symbol `atomtx_' has differing sizes:
	(file geout.o value=0xa1; file makpol.o value=0xa4);
	makpol.o definition taken
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file matou1.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file polar.o value=0x9920);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file compfg.o value=0x1e0; file polar.o value=0x3c0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsav.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file powsq.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsq.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file react1.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file readmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file readmo.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symops_' has differing sizes:
	(file fmat.o value=0x5a04; file sympro.o value=0x4748);
	fmat.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file symtry.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `solvi_' has differing sizes:
	(file addfck.o value=0xc84; file upsurf.o value=0x1048);
	upsurf.o definition taken
ld: warning: symbol `dirvec_' has differing sizes:
	(file addfck.o value=0x6660; file upsurf.o value=0xcae0);
	upsurf.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file writmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file writmo.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file writmo.o value=0x1e0);
	polar.o definition taken
Undefined			first referenced
 symbol  			    in file
esp_                                mopac.o
fdate_                              readmo.o
etime_                              second.o
ld: fatal: Symbol referencing errors. No output written to mopac.exe
*******************************************************
*******************************************************
*******************************************************
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file bonds.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `densty_' has differing sizes:
	(file bonds.o value=0x7788; file cqden.o value=0x27d8);
	bonds.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file ef.o value=0x8);
	bonds.o definition taken
ld: warning: symbol `nllcom_' has differing sizes:
	(file ef.o value=0x11a30; file fmat.o value=0x15180);
	fmat.o definition taken
ld: warning: symbol `simbol_' has differing sizes:
	(file force.o value=0x258; file makpol.o value=0x1e0);
	force.o definition taken
ld: warning: symbol `atomtx_' has differing sizes:
	(file geout.o value=0xa1; file makpol.o value=0xa4);
	makpol.o definition taken
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file matou1.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file polar.o value=0x9920);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file compfg.o value=0x1e0; file polar.o value=0x3c0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsav.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file powsq.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsq.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file react1.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file readmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file readmo.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symops_' has differing sizes:
	(file fmat.o value=0x5a04; file sympro.o value=0x4748);
	fmat.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file symtry.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `solvi_' has differing sizes:
	(file addfck.o value=0xc84; file upsurf.o value=0x1048);
	upsurf.o definition taken
ld: warning: symbol `dirvec_' has differing sizes:
	(file addfck.o value=0x6660; file upsurf.o value=0xcae0);
	upsurf.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file writmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file writmo.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file writmo.o value=0x1e0);
	polar.o definition taken
Undefined			first referenced
 symbol  			    in file
fdate_                              readmo.o
etime_                              second.o
ld: fatal: Symbol referencing errors. No output written to mopac.exe
******************************************************
******************************************************
******************************************************
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file bonds.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `densty_' has differing sizes:
	(file bonds.o value=0x7788; file cqden.o value=0x27d8);
	bonds.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file ef.o value=0x8);
	bonds.o definition taken
ld: warning: symbol `nllcom_' has differing sizes:
	(file ef.o value=0x11a30; file fmat.o value=0x15180);
	fmat.o definition taken
ld: warning: symbol `simbol_' has differing sizes:
	(file force.o value=0x258; file makpol.o value=0x1e0);
	force.o definition taken
ld: warning: symbol `atomtx_' has differing sizes:
	(file geout.o value=0xa1; file makpol.o value=0xa4);
	makpol.o definition taken
ld: warning: symbol `keywrd_' has differing sizes:
	(file analyt.o value=0xf1; file matou1.o value=0x50);
	analyt.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file bonds.o value=0x7080; file polar.o value=0x9920);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file compfg.o value=0x1e0; file polar.o value=0x3c0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsav.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file powsq.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file powsq.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file react1.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file readmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file readmo.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `symops_' has differing sizes:
	(file fmat.o value=0x5a04; file sympro.o value=0x4748);
	fmat.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file symtry.o value=0x1e0);
	polar.o definition taken
ld: warning: symbol `solvi_' has differing sizes:
	(file addfck.o value=0xc84; file upsurf.o value=0x1048);
	upsurf.o definition taken
ld: warning: symbol `dirvec_' has differing sizes:
	(file addfck.o value=0x6660; file upsurf.o value=0xcae0);
	upsurf.o definition taken
ld: warning: symbol `symres_' has differing sizes:
	(file matou1.o value=0x2a4; file writmo.o value=0x254);
	matou1.o definition taken
ld: warning: symbol `scrach_' has differing sizes:
	(file polar.o value=0x9920; file writmo.o value=0x7080);
	polar.o definition taken
ld: warning: symbol `geom_' has differing sizes:
	(file polar.o value=0x3c0; file writmo.o value=0x1e0);
	polar.o definition taken
*****************************************************
*****************************************************
*****************************************************
 ./mopac.exe
MEMORY FAULT (coredump)
*****************************************************
*****************************************************
*****************************************************
(INPUT)
    polar  SYMMETRY
 Formaldehyde, for Demonstration Purposes
      
 O
 C 1.2 1
 H 1.1 1 120 1
 H 1.1 0 120 0 180 0 2 1 3

 3 1 4
 3 2 4

  0 1 1 0.001 500 150 0.001
******************************************************
******************************************************
******************************************************
(OUTPUT)
 *******************************************************************************
 ** MOPAC (PUBLIC DOMAIN) FOR DEVELOPMENT USE ONLY.  NOT FOR PRODUCTION WORK  **
 *******************************************************************************

                                MNDO CALCULATION RESULTS

 *******************************************************************************
 *          MOPAC:  VERSION  7.00               CALC'D.                         
 *  POLAR    - CALCULATE FIRST, SECOND AND THIRD-ORDER POLARIZABILITIES
 *  SYMMETRY - SYMMETRY CONDITIONS TO BE IMPOSED
 *   T=      - A TIME OF  3600.0 SECONDS REQUESTED
 *  DUMP=N   - RESTART FILE WRITTEN EVERY  3600.0 SECONDS
 ***********************************************************************010BY010

     PARAMETER DEPENDENCE DATA

        REFERENCE ATOM      FUNCTION NO.    DEPENDENT ATOM(S)
            3                  1             4
            3                  2             4

             DESCRIPTIONS OF THE FUNCTIONS USED

   1      BOND LENGTH    IS SET EQUAL TO THE REFERENCE BOND LENGTH   
   2      BOND ANGLE     IS SET EQUAL TO THE REFERENCE BOND ANGLE    
    POLAR  SYMMETRY
 Formaldehyde, for Demonstration Purposes

    ATOM   CHEMICAL  BOND LENGTH    BOND ANGLE     TWIST ANGLE
   NUMBER  SYMBOL    (ANGSTROMS)     (DEGREES)      (DEGREES)
    (I)                  NA:I          NB:NA:I      NC:NB:NA:I     NA   NB   NC

      1      O       
      2      C         1.20000  *                                  1
      3      H         1.10000  *     120.00000  *                 2    1
      4      H         1.10000        120.00000     180.00000      2    1    3

          CARTESIAN COORDINATES 

    NO.       ATOM         X         Y         Z

     1         O        0.0000    0.0000    0.0000
     2         C        1.2000    0.0000    0.0000
     3         H        1.7500    0.9526    0.0000
     4         H        1.7500   -0.9526    0.0000

     MOLECULAR POINT GROUP   :   C2V 
  H: (MNDO):  M.J.S. DEWAR, W. THIEL, J. AM. CHEM. SOC., 99, 4899, (1977)       
  C: (MNDO):  M.J.S. DEWAR, W. THIEL, J. AM. CHEM. SOC., 99, 4899, (1977)       
  O: (MNDO):  M.J.S. DEWAR, W. THIEL, J. AM. CHEM. SOC., 99, 4899, (1977)       

          RHF CALCULATION, NO. OF DOUBLY OCCUPIED LEVELS =  6

            INTERATOMIC DISTANCES
0
                  O  1       C  2       H  3       H  4
 ------------------------------------------------------
     O    1   0.000000
     C    2   1.200000   0.000000
     H    3   1.992486   1.100000   0.000000
     H    4   1.992486   1.100000   1.905256   0.000000
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						Yours sincerely,
                                              Dr.Josette Weinberg
                                     Research Institute for Chemistry
					       BUCHAREST ROMANIA