%chk=000025308.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025308

0 1
 S   -3.834900      -1.448800       1.756200    
 O    4.021100      -1.145500      -1.438100    
 O   -3.690800     -0.8805000       3.089800    
 O   -4.055700      -2.881700       1.619500    
 O   -1.956300      -4.082400     -0.6457000    
 O   -3.898300      -2.974000      -1.053500    
 O   -3.958300      0.9384000      -2.746100    
 O   -5.355900     -0.6046000      -1.833700    
 N    5.085800      0.6165000     -0.2616000    
 N    4.812100       1.932000      4.5400001E-02
 N   -5.081800     -0.5892000      0.9369000    
 N    1.842600      0.6717000     -0.5296000    
 N    1.030500      9.6100003E-02  -1.290800    
 C    3.051700       1.075400      -1.225100    
 C    3.667500       2.217000     -0.4898000    
 C    4.081800      1.7000000E-03  -1.028700    
 C   -2.406200      -1.017200      0.8410000    
 C   -1.989100      -1.774300     -0.2539000    
 C    6.257900      3.8500000E-02  0.1990000    
 C  -0.1207000     -0.2770000     -0.5771000    
 C   -1.680800      0.1101000       1.226500    
 C    3.017800       3.554500     -0.3988000    
 C  -0.8462000      -1.404200     -0.9629000    
 C   -4.902300      0.8205000      0.7160000    
 C  -0.5380000      0.4801000      0.5176000    
 C    6.538400      -1.296600     -9.2399999E-02
 C    7.157600      0.7915000      0.9534000    
 C   -4.732800       1.330000     -0.5715000    
 C   -4.897900       1.682000       1.813000    
 C   -2.720600      -2.958000     -0.6859000    
 C    7.718400      -1.878500      0.3707000    
 C    8.337700      0.2095000       1.416500    
 C   -4.559200       2.700900     -0.7617000    
 C   -4.724400       3.052900       1.622800    
 C    8.618000      -1.125500       1.125100    
 C   -4.554900       3.562300      0.3354000    
 C   -4.733700      0.4564000      -1.737800    
 H    2.920900       1.321700      -2.283100    
 H   -1.981800      0.7201000       2.073100    
 H   -5.556600      -1.095700      0.1790000    
 H    3.668600       4.258700      0.1258000    
 H    2.819000       3.930000      -1.405800    
 H    2.073300       3.466600      0.1442000    
 H  -0.5169000      -1.987500      -1.820100    
 H  -1.3600000E-02   1.376700      0.8384000    
 H    5.894500      -1.944800     -0.6698000    
 H    6.976400       1.833800       1.201300    
 H   -5.050200       1.310500       2.822200    
 H   -4.438100       3.131300      -1.752300    
 H    7.938200      -2.918000      0.1445000    
 H    9.038700      0.7954000       2.003900    
 H   -4.726500       3.724400       2.476400    
 H    9.536800      -1.578500       1.485600    
 H   -4.423800       4.630300      0.1873000    
 H   -2.456100      -4.874100     -0.9384000    
 H   -3.963100      0.3439000      -3.526400    


%chk=000025308-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025308

0 1
S -3.684140 -0.641921 1.392669
O 4.954680 -2.023742 0.132413
O -3.380246 0.193496 2.759214
O -4.191568 -2.172028 1.540258
O -2.303182 -3.078543 -2.294677
O -4.029350 -1.805820 -1.411060
O -7.553671 1.990100 -2.447994
O -5.711587 0.633341 -2.124946
N 6.186385 0.012467 -0.150697
N 6.007532 1.261588 -0.839719
N -4.749043 0.395058 0.325032
N 2.803661 0.068008 -0.635363
N 1.898044 -0.675509 -1.199215
C 4.124338 -0.104863 -1.280848
C 4.848424 1.221169 -1.465481
C 5.104955 -0.869279 -0.332865
C -2.007925 -0.586301 0.426874
C -1.737358 -1.350717 -0.733553
C 7.394312 -0.185335 0.592076
C 0.595130 -0.585747 -0.585368
C -1.020606 0.166242 1.085520
C 4.322493 2.377398 -2.254187
C -0.409153 -1.348718 -1.223428
C -5.795646 1.218114 0.774086
C 0.289933 0.178160 0.572821
C 7.607253 -1.387664 1.316928
C 8.378030 0.837375 0.592533
C -6.726117 1.745289 -0.201306
C -5.968009 1.587792 2.141348
C -2.808586 -2.074927 -1.474446
C 8.809780 -1.552172 2.036833
C 9.571583 0.652033 1.319106
C -7.772681 2.613545 0.219925
C -7.018224 2.439550 2.521280
C 9.797162 -0.540924 2.044653
C -7.929819 2.962229 1.568298
C -6.592027 1.397311 -1.621990
H 4.030737 -0.678676 -2.226653
H -1.288969 0.706750 1.999538
H -4.799352 0.033015 -0.654730
H 5.039051 3.213644 -2.236402
H 4.132918 2.090621 -3.305738
H 3.358715 2.721677 -1.833857
H -0.154170 -1.936785 -2.108830
H 1.083049 0.753104 1.059447
H 6.848237 -2.172494 1.312618
H 8.195060 1.755606 0.030730
H -5.269493 1.210279 2.891106
H -8.454401 2.997348 -0.543999
H 8.970781 -2.480924 2.595082
H 10.327548 1.444963 1.317031
H -7.125403 2.701607 3.579916
H 10.726700 -0.679410 2.606870
H -8.741641 3.626357 1.879472
H -3.053342 -3.518068 -2.778429
H -7.390984 1.690126 -3.381993


