%chk=000003889.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003889

0 1
 S    4.444100       1.112200     -0.2088000    
 O   0.5105000     -0.5171000      -1.924500    
 O   -2.044400      -2.900200     -0.7673000    
 O  -0.3452000      -2.538000       1.930000    
 O    2.860100      -3.257100       1.500400    
 O   -2.917500      -1.073400       1.743100    
 O    3.343800      -1.110300       2.123200    
 O   -2.213100       1.714300       2.950400    
 O   -4.419500       2.170600       2.711200    
 O   -8.015400       1.356900      -2.153500    
 N   0.8474000      -1.879100      1.3300000E-02
 N   -1.807700     -0.5291000     -0.2207000    
 N    6.886100       2.396900     -9.4999997E-03
 N    7.023300      0.4717000     -0.9981000    
 N    8.182300       2.250300     -0.3173000    
 N    8.260300       1.070900     -0.9213000    
 C   -1.151600      -1.826700     -0.4136000    
 C   0.1482000      -1.728800      -1.245300    
 C  -0.2112000      -2.206300      0.7759000    
 C    2.158600      -1.561500      0.1126000    
 C    2.750700     -0.8828000     -0.8980000    
 C    1.934200     -0.3863000      -2.100100    
 C   -2.646300     -0.2634000      0.8585000    
 C    4.204500     -0.5026000     -0.9723000    
 C    2.853800      -1.916200       1.354400    
 C   -2.603800      -2.825800      -2.070500    
 C   -3.205600       1.158100      0.8456000    
 C   -4.495300       1.211900      4.1200001E-02
 C   -3.372500       1.745500       2.240500    
 C   -5.605300      0.4747000      0.4537000    
 C   -4.568400       1.997900      -1.108800    
 C    6.188100       1.309100     -0.4277000    
 C   -6.788200      0.5235000     -0.2836000    
 C   -5.751400       2.046700      -1.846200    
 C   -6.861300       1.309500      -1.433600    
 C    6.427900       3.584100      0.6665000    
 H   0.3138000      -2.595300      -1.900300    
 H   -1.664100      0.2089000     -0.9060000    
 H    2.128100      0.6758000      -2.279600    
 H    2.218700     -0.9451000      -2.998500    
 H    4.541600     -0.4880000      -2.014900    
 H    4.819700      -1.245300     -0.4519000    
 H   -2.467500       1.811000      0.3577000    
 H   -3.149900      -1.887400      -2.203500    
 H   -1.825700      -2.918200      -2.832700    
 H   -3.305800      -3.655300      -2.190000    
 H    3.317400      -3.536500       2.322100    
 H   -5.567700     -0.1425000       1.347200    
 H   -3.712200       2.577100      -1.443600    
 H   -7.645900     -5.5399999E-02  4.8500001E-02
 H   -5.802200       2.660400      -2.741400    
 H   -2.328800       2.076800       3.854500    
 H    5.693600       4.084900      3.0900000E-02
 H    7.274700       4.251700      0.8468000    
 H    5.981100       3.291100       1.619700    
 H   -8.677600      0.7877000      -1.725100    


%chk=000003889-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003889

0 1
S 5.194658 0.280181 0.525466
O 0.767324 -0.669148 -1.398329
O -1.846322 -3.077749 -0.334835
O -0.117007 -2.498700 2.385120
O 2.603689 -3.840723 2.009132
O -3.290974 -1.032237 1.460022
O 4.476683 -2.480577 1.771372
O -1.882074 2.057788 2.523955
O -4.205753 2.101204 2.560798
O -7.552420 1.796278 -2.902551
N 1.127866 -2.371870 0.277989
N -1.529714 -0.660655 -0.041894
N 5.540495 2.962106 -0.196880
N 4.355197 1.827883 -1.704593
N 5.201106 3.877749 -1.225076
N 4.493420 3.171851 -2.120922
C -0.956119 -1.997478 -0.062127
C 0.371372 -1.990192 -0.931111
C -0.005337 -2.356182 1.167526
C 2.515657 -2.134837 0.355373
C 3.083646 -1.314818 -0.603502
C 2.224725 -0.613608 -1.652162
C -2.613151 -0.261466 0.733773
C 4.557976 -1.064925 -0.719296
C 3.308130 -2.796710 1.426785
C -2.814124 -2.843375 -1.426343
C -2.977508 1.248360 0.556396
C -4.210169 1.392680 -0.328991
C -3.149232 1.842441 1.958596
C -5.460179 0.852837 0.064861
C -4.111851 2.053629 -1.579569
C 5.015673 1.732076 -0.514458
C -6.586491 0.972531 -0.773808
C -5.230689 2.180088 -2.426898
C -6.470432 1.638250 -2.018988
C 6.326476 3.386388 0.962834
H 0.417087 -2.739588 -1.741619
H -0.987354 0.040142 -0.561364
H 2.488465 0.458121 -1.697310
H 2.440628 -1.041915 -2.655617
H 4.833358 -0.683037 -1.714646
H 5.172249 -1.931526 -0.440118
H -2.122389 1.775964 0.097241
H -3.575659 -2.105425 -1.121615
H -2.311695 -2.506489 -2.355373
H -3.288001 -3.822382 -1.589453
H 3.122212 -4.222533 2.767488
H -5.546448 0.339801 1.026771
H -3.153584 2.484017 -1.896115
H -7.550660 0.554523 -0.456136
H -5.165223 2.693941 -3.390124
H -1.987502 2.380250 3.459623
H 5.720319 3.340592 1.883623
H 6.645816 4.423704 0.787789
H 7.213746 2.741186 1.079566
H -8.378408 1.408091 -2.520577


