%chk=000004849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004849

0 1
 S  -0.4451000      -2.883300     -0.8600000    
 O    1.099900     -0.3220000      -1.034900    
 O   -1.594100      -3.710500      -1.196000    
 O   0.6620000      -2.763500      -1.796600    
 O   -4.488600       1.628300      0.9924000    
 O   -5.005900     -0.5822000      0.8815000    
 N   0.1812000       2.259700     -0.4209000    
 N   0.1672000      -3.376100      0.6564000    
 C   6.3299999E-02   3.459100      0.4048000    
 C    1.267600       2.377300      -1.390400    
 C    1.342500       4.236500      0.1029000    
 C    1.646600       3.855500      -1.335500    
 C  -0.6314000       1.153100     -0.2992000    
 C  -0.1858000     -0.1656000     -0.6052000    
 C   -1.979200       1.268800      0.1454000    
 C   -1.020300      -1.276000     -0.4768000    
 C   -2.813600      0.1586000      0.2738000    
 C   -2.334100      -1.113900     -3.7099998E-02
 C   -4.183500      0.3275000      0.7320000    
 C    2.073200     -0.5394000     -7.6499999E-02
 C    1.708300     -0.5886000       1.257600    
 C    3.388600     -0.7021000     -0.4748000    
 C    2.690000     -0.8071000       2.224100    
 C    4.370200     -0.9207000      0.4917000    
 C    4.020900     -0.9732000       1.841200    
 H  -8.1000002E-03   3.223800       1.471900    
 H  -0.8133000       4.043300      0.1028000    
 H   0.9670000       2.086600      -2.402300    
 H    2.152400       1.818300      -1.086400    
 H    2.152600       3.894200      0.7584000    
 H    1.220700       5.314100      0.2428000    
 H    1.007800       4.431200      -2.016300    
 H    2.689400       4.033700      -1.612800    
 H   -2.348500       2.265300      0.3781000    
 H   -2.985500      -1.977100      7.2400004E-02
 H  -0.3600000      -4.090700       1.172900    
 H    1.186300      -3.465300      0.7523000    
 H   0.6975000     -0.4639000       1.628900    
 H    3.661700     -0.6613000      -1.525000    
 H    2.419200     -0.8472000       3.275200    
 H    5.406500      -1.050000      0.1936000    
 H   -5.414000       1.731400       1.301200    
 H    4.785300      -1.143300       2.593700    


%chk=000004849-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004849

0 1
S -0.737772 -2.979523 -1.123011
O 1.107138 -0.590906 -0.831391
O -2.041636 -3.915657 -0.857123
O -0.062553 -2.909673 -2.596938
O -4.518915 1.788165 1.165125
O -5.193141 -0.399287 0.774946
N 0.288434 2.180185 -0.202017
N 0.480944 -3.509810 0.139791
C -0.097794 3.528634 0.288706
C 1.481401 2.251231 -1.104096
C 1.142850 4.393849 -0.013912
C 1.682335 3.769144 -1.324678
C -0.594193 1.112544 -0.138184
C -0.215422 -0.235735 -0.478397
C -1.945440 1.298611 0.293837
C -1.195134 -1.243122 -0.511318
C -2.882342 0.243876 0.305247
C -2.526781 -1.055962 -0.135584
C -4.285719 0.463729 0.750684
C 2.121039 -0.640333 0.172415
C 1.887727 -0.372875 1.538306
C 3.400169 -1.004473 -0.304491
C 2.972119 -0.470662 2.439895
C 4.470150 -1.098081 0.611705
C 4.262284 -0.829786 1.986228
H -0.351108 3.499892 1.364862
H -0.984979 3.913556 -0.260931
H 1.292829 1.701875 -2.042267
H 2.369210 1.805464 -0.619375
H 1.887806 4.290281 0.795963
H 0.887480 5.461735 -0.115067
H 1.081290 4.116512 -2.185246
H 2.738218 4.019899 -1.519627
H -2.285259 2.285003 0.613799
H -3.252839 -1.873768 -0.163820
H 0.281899 -4.497126 0.370858
H 1.441270 -3.342337 -0.201118
H 0.885680 -0.116734 1.893989
H 3.535387 -1.203814 -1.372122
H 2.800880 -0.271676 3.503521
H 5.464474 -1.381862 0.250093
H -5.469123 1.867509 1.447808
H 5.094039 -0.905192 2.694235


