%chk=000003441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003441

0 1
 S    1.413400       2.505100      -1.482100    
 S  -0.2266000       3.407200     -0.6460000    
 O    3.015900      8.7399997E-02 -0.4675000    
 O   -2.390300       3.013700       2.363500    
 O   -4.248500     -0.5567000       1.053200    
 N   -2.692300      0.2546000     -0.5023000    
 N   0.8257000      -2.586000     -0.4774000    
 N  -0.8575000      -3.594100      0.9218000    
 N   0.2362000     -0.8796000      -2.015200    
 C    3.622800       1.381900     -0.3170000    
 C    4.612400       1.254600      0.8281000    
 C    5.086100     -0.1670000      0.6593000    
 C    3.814100     -0.8730000      0.2404000    
 C    2.551400       2.427900     -7.7600002E-02
 C   -1.080800       1.965300     -0.1045000    
 C   -1.968500       1.345500     -0.9186000    
 C  -0.7878000       1.514200       1.317300    
 C   -2.533700     -0.9940000      -1.233600    
 C   -1.464700      -1.862900     -0.6366000    
 C   -2.283100       1.764100      -2.329400    
 C   -1.026900       2.612600       2.352000    
 C  -0.1379000      -1.807100      -1.011700    
 C   -3.551400      0.3371000      0.5848000    
 C   -1.769400      -2.784300      0.3445000    
 C   0.4023000      -3.444200      0.4701000    
 C    1.439000      -4.322200       1.084600    
 H    4.169500       1.593400      -1.245600    
 H    5.419400       1.990700      0.7769000    
 H    4.110400       1.361700       1.797400    
 H    5.533100     -0.5927000       1.561400    
 H    5.826200     -0.2191000     -0.1480000    
 H    3.239600      -1.203700       1.112100    
 H    4.004600      -1.738300     -0.4006000    
 H    3.010800       3.412900      5.5500001E-02
 H    2.007100       2.183200      0.8357000    
 H   -1.365400      0.6353000       1.611700    
 H   0.2519000       1.179800       1.382500    
 H   -2.381300     -0.8250000      -2.304000    
 H   -3.487400      -1.537300      -1.182200    
 H   -2.273800       2.851000      -2.456600    
 H   -3.291300       1.448000      -2.623600    
 H   -1.571400       1.326800      -3.036300    
 H  -0.3980000       3.492900       2.189400    
 H  -0.7872000       2.222300       3.347300    
 H   -3.616600       1.355200      0.9958000    
 H   -2.782400      -2.914200      0.7111000    
 H   -2.483200       3.690600       3.055300    
 H    1.224500     -0.8483000      -2.237900    
 H  -0.4024000     -0.7065000      -2.779900    
 H    1.147200      -5.372500      0.9896000    
 H    2.410700      -4.190900      0.5981000    
 H    1.549800      -4.080900       2.146100    


%chk=000003441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003441

0 1
S 1.499625 2.773367 -1.527272
S -0.294540 3.681188 -0.352837
O 3.374511 0.101559 -1.333826
O -3.268151 2.888139 2.204994
O -4.385205 -0.728778 0.733144
N -2.679379 0.294175 -0.503684
N 0.978949 -2.434862 0.077775
N -0.853843 -3.718446 1.040198
N 0.614169 -0.627210 -1.357444
C 3.752194 1.331813 -0.575443
C 4.663023 0.839148 0.577950
C 5.345283 -0.411901 -0.029949
C 4.213386 -1.047403 -0.860077
C 2.494015 2.053069 -0.072516
C -1.250723 2.185120 0.124987
C -1.930313 1.472793 -0.841135
C -1.160656 1.835359 1.599402
C -2.378720 -1.005241 -1.194325
C -1.341032 -1.842917 -0.466676
C -1.933096 1.851091 -2.313832
C -1.831761 2.869582 2.523674
C 0.077180 -1.624602 -0.587966
C -3.710148 0.300856 0.450327
C -1.730587 -2.905155 0.371196
C 0.477252 -3.440153 0.851584
C 1.463657 -4.326313 1.574553
H 4.322351 1.984943 -1.267264
H 5.383026 1.612813 0.893035
H 4.047860 0.554080 1.452203
H 5.730690 -1.098446 0.742638
H 6.186603 -0.110308 -0.679697
H 3.560344 -1.711883 -0.262586
H 4.569645 -1.582683 -1.755963
H 2.776066 2.893773 0.583118
H 1.847058 1.344032 0.468565
H -1.596603 0.839397 1.791179
H -0.093737 1.789440 1.892045
H -2.063878 -0.782520 -2.230070
H -3.330023 -1.563759 -1.231472
H -1.943211 2.949828 -2.411745
H -2.821171 1.434432 -2.817194
H -1.029157 1.514114 -2.858815
H -1.379387 3.869757 2.356268
H -1.666560 2.570352 3.579751
H -3.871581 1.293548 0.914275
H -2.796881 -3.111375 0.523019
H -3.744329 3.504542 2.813969
H 1.637481 -0.462436 -1.373063
H 0.029670 0.089652 -1.778492
H 1.269688 -5.385796 1.331987
H 2.495169 -4.063209 1.294904
H 1.340078 -4.222064 2.667905


