%chk=000031425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031425

0 1
 S   -4.142500      0.9086000      8.9999998E-04
 S    4.142300     -0.9093000      2.4000001E-03
 O   -1.462700       2.231900      1.0900000E-02
 O    1.462400      -2.232700      8.8000000E-03
 N   -4.859100      -1.557300     -1.7000000E-03
 N    4.858800       1.556800     -1.3000000E-03
 C   -1.459100     -0.1259000      4.3000001E-03
 C    1.458900      0.1252000      4.6000001E-03
 C  -0.6739000      -1.286700      4.6999999E-03
 C   0.6739000       1.286000      4.3000001E-03
 C  -0.8035000       1.200000      6.2000002E-03
 C   0.8034000      -1.200700      6.8000001E-03
 C   -2.870100     -0.2723000      2.3000001E-03
 C    2.869900      0.2717000      2.7999999E-03
 C   -3.471600      -1.541200      6.9999998E-04
 C    3.471400       1.540700      6.9999998E-04
 C   -1.264900      -2.551500      3.3000000E-03
 C    1.264800       2.551000      2.6000000E-03
 C   -2.652300      -2.687400      1.3000000E-03
 C    2.652100       2.686900      6.9999998E-04
 C   -5.313000     -0.3291000     -1.7000000E-03
 C    5.312900      0.3285000     -7.9999998E-04
 C   -6.709700      3.5200000E-02 -3.7000000E-03
 C    6.710000     -3.5000000E-02 -3.3000000E-03
 C   -7.669900     -0.8871000     -0.4189000    
 C    7.669200      0.8880000     -0.4190000    
 C   -7.098200       1.309000      0.4100000    
 C    7.099200      -1.308500      0.4102000    
 C   -9.019500     -0.5352000     -0.4204000    
 C    9.019100      0.5369000     -0.4209000    
 C   -8.448000       1.660800      0.4086000    
 C    8.449200      -1.659500      0.4082000    
 C   -9.408700      0.7387000     -6.6000000E-03
 C    9.409200     -0.7369000     -7.3000002E-03
 H  -0.6639000      -3.457600      3.5999999E-03
 H   0.6637000       3.457000      2.4000001E-03
 H   -3.097900      -3.678400      9.9999997E-05
 H    3.097700       3.677900     -8.9999998E-04
 H   -7.391100      -1.885000     -0.7488000    
 H    7.389800       1.885700     -0.7487000    
 H   -6.405500       2.063700      0.7698000    
 H    6.406900      -2.063500      0.7701000    
 H   -9.767700      -1.252900     -0.7440000    
 H    9.766700       1.255000     -0.7449000    
 H   -8.752700       2.650600      0.7362000    
 H    8.754500      -2.649000      0.7358000    
 H   -10.45980       1.012100     -6.3000000E-03
 H    10.46050      -1.009700     -7.4999998E-03


%chk=000031425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031425

0 1
S -4.083851 1.108609 0.000447
S 4.083895 -1.108374 0.000459
O -1.509876 2.305907 0.000263
O 1.509939 -2.305655 0.000406
N -4.904307 -1.478237 0.000645
N 4.904362 1.478471 0.000329
C -1.456824 -0.095362 0.000522
C 1.456877 0.095609 0.000457
C -0.683343 -1.297179 0.000586
C 0.683399 1.297426 0.000438
C -0.804741 1.241771 0.000437
C 0.804797 -1.241523 0.000513
C -2.864149 -0.212420 0.000549
C 2.864201 0.212662 0.000434
C -3.505444 -1.499108 0.000616
C 3.505499 1.499348 0.000359
C -1.319103 -2.568382 0.000687
C 1.319161 2.568628 0.000398
C -2.718112 -2.677189 0.000712
C 2.718170 2.677432 0.000362
C -5.387818 -0.242990 0.000463
C 5.387866 0.243220 0.000240
C -6.813805 0.095043 0.000414
C 6.813850 -0.094820 0.000161
C -7.774075 -0.958255 -0.000014
C 7.774126 0.958472 -0.000384
C -7.264856 1.444220 0.000797
C 7.264894 -1.444000 0.000629
C -9.150360 -0.662476 -0.000132
C 9.150410 0.662686 -0.000531
C -8.644026 1.734018 0.000697
C 8.644062 -1.733806 0.000497
C -9.591726 0.683289 0.000218
C 9.591769 -0.683082 -0.000097
H -0.681167 -3.456772 0.000736
H 0.681227 3.457020 0.000384
H -3.220100 -3.648519 0.000814
H 3.220161 3.648761 0.000351
H -7.414510 -1.991667 -0.000267
H 7.414567 1.991887 -0.000703
H -6.540805 2.267580 0.001230
H 6.540839 -2.267356 0.001152
H -9.881679 -1.477912 -0.000493
H 9.881734 1.478117 -0.000982
H -8.980558 2.776148 0.001016
H 8.980589 -2.775938 0.000882
H -10.663371 0.910700 0.000119
H 10.663412 -0.910499 -0.000218


