%chk=000100467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100467

0 1
 S    1.137700      -3.210600      9.3599997E-02
 S    2.674300      0.8372000     -1.8800000E-02
 O    6.383500       1.904700     -9.8499998E-02
 O    4.512400       3.061000     -9.7300000E-02
 N   -3.816100      0.3277000      9.1399997E-02
 N   -2.496100      4.3200001E-02  8.1799999E-02
 N   0.1503000     -0.8218000      5.7799999E-02
 N    5.122000       1.955200     -8.1200004E-02
 C   -6.420700       1.637500     -0.1846000    
 C   -5.982800      0.5105000      -1.111200    
 C   -5.718300       1.514100       1.161500    
 C   -4.460200      0.4388000      -1.222500    
 C   -4.202800       1.418400      0.9919000    
 C   -2.258500      -1.227300      0.1028000    
 C  -0.8889000      -1.716700      9.2799999E-02
 C    1.276100      -1.500600      5.4900002E-02
 C    2.545400     -0.8705000      2.1299999E-02
 C  -0.5694000      -3.047500      0.1163000    
 C    3.781200      -1.480900      1.5200000E-02
 C    4.384900      0.7627000     -4.4500001E-02
 C    4.846200     -0.5351000     -2.2700001E-02
 H   -6.176500       2.604900     -0.6403000    
 H   -7.507100       1.610200     -4.6200000E-02
 H   -6.367500     -0.4447000     -0.7317000    
 H   -6.419700      0.6584000      -2.105300    
 H   -5.966700       2.377600       1.788800    
 H   -6.085700      0.6222000       1.684900    
 H   -4.204500     -0.4310000      -1.840000    
 H   -4.082700       1.324400      -1.749800    
 H   -3.807500       2.371800      0.6184000    
 H   -3.757200       1.253700       1.980700    
 H   -3.064200      -1.985500      0.1305000    
 H   -1.220000      -3.910300      0.1446000    
 H    3.949700      -2.550200      3.6400001E-02
 H    5.894600     -0.8068000     -3.3000000E-02


%chk=000100467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100467

0 1
S 1.277524 -3.226303 -0.926158
S 2.622440 0.877038 0.537857
O 6.464425 1.793690 1.171106
O 4.516044 2.995805 1.399742
N -3.861814 0.401842 -0.115658
N -2.576918 -0.041029 -0.217884
N 0.172796 -0.875832 -0.247019
N 5.174409 1.915527 1.100054
C -6.493629 1.641503 0.092948
C -6.328872 0.107289 0.157706
C -5.240342 2.326243 0.683678
C -5.046990 -0.368415 -0.564160
C -3.974550 1.878623 -0.070250
C -2.280937 -1.280498 -0.587756
C -0.889326 -1.717037 -0.611678
C 1.357051 -1.461854 -0.340200
C 2.619616 -0.842005 -0.030023
C -0.490816 -3.007221 -1.000329
C 3.915280 -1.379211 -0.096536
C 4.417957 0.776419 0.658691
C 4.935143 -0.465274 0.292691
H -6.630343 1.960752 -0.960996
H -7.401615 1.949861 0.643395
H -6.278174 -0.207819 1.217826
H -7.198711 -0.403434 -0.297090
H -5.324728 3.426983 0.617776
H -5.143638 2.063182 1.754900
H -4.882999 -1.437313 -0.337568
H -5.164951 -0.273438 -1.668495
H -4.002572 2.280844 -1.108749
H -3.053364 2.248566 0.406911
H -3.019102 -2.041342 -0.889265
H -1.123375 -3.832291 -1.322267
H 4.116722 -2.404508 -0.417214
H 6.003558 -0.684643 0.312016


