%chk=000060033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060033

0 1
 S  -9.2699997E-02  -1.615700      0.9896000    
 S   -2.836400      -2.535800      0.3478000    
 O   -4.612200       2.847800     -0.1056000    
 N  -0.5920000      -4.111400      2.8800000E-02
 N    2.557500     -5.9000002E-03 -0.3466000    
 N   0.7942000       1.582000     -0.1138000    
 C   0.8485000      -4.376500      9.0599999E-02
 C   -1.375900      -5.241700     -0.4751000    
 C   -1.185400      -2.890800      0.4077000    
 C   0.2642000     -0.8047000     -0.5872000    
 C    1.255400      -4.919400       1.444900    
 C   -1.554700      -5.167000      -1.977400    
 C    1.218900      0.3676000     -0.3393000    
 C    3.715200      0.7798000     -0.1579000    
 C  -0.5708000       1.901000     -0.1119000    
 C   -1.304000       1.821100       1.072100    
 C   -1.195900       2.299200      -1.293600    
 C   -3.287000       2.537400     -0.1073000    
 C    4.857000      0.2141000      0.4095000    
 C    3.717500       2.121400     -0.5395000    
 C   -2.661900       2.139200       1.074500    
 C   -2.553900       2.617400      -1.291400    
 C    6.001200      0.9900000      0.5953000    
 C    4.861800       2.897300     -0.3537000    
 C    6.003600       2.331600      0.2136000    
 C   -5.435900       2.172500      0.8438000    
 C   -6.836300       2.049600      0.2823000    
 H    1.113700      -5.096100     -0.6931000    
 H    1.424900      -3.476000     -0.1322000    
 H   -2.356400      -5.267700      9.6000005E-03
 H  -0.8782000      -6.178900     -0.1998000    
 H  -0.6577000     -0.4760000      -1.070700    
 H   0.7424000      -1.516100      -1.269000    
 H    1.019300      -4.219100       2.251700    
 H   0.7395000      -5.859800       1.664800    
 H    2.332500      -5.112200       1.468100    
 H   -2.068300      -4.249800      -2.281300    
 H  -0.5884000      -5.188000      -2.492100    
 H   -2.144400      -6.018300      -2.331800    
 H    2.759300      -1.002800     -0.3769000    
 H  -0.8235000       1.524400       2.000800    
 H  -0.6328000       2.364600      -2.221000    
 H    4.867800     -0.8300000      0.7121000    
 H    2.862900       2.588300      -1.018100    
 H   -3.189000       2.091300       2.022600    
 H   -3.035400       2.926500      -2.215000    
 H    6.890400      0.5495000       1.036900    
 H    4.867100       3.939800     -0.6586000    
 H    6.895100       2.935200      0.3563000    
 H   -5.459200       2.749400       1.774900    
 H   -5.073900       1.157200       1.049200    
 H   -7.499400       1.544700      0.9904000    
 H   -6.827300       1.486200     -0.6568000    
 H   -7.249000       3.038200      5.5799998E-02


%chk=000060033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060033

0 1
S -0.743477 -2.078245 -0.339061
S 1.261440 -3.275976 -2.457337
O -4.635309 3.767002 0.842112
N 0.275586 -4.588563 -0.273819
N 1.904976 -0.115859 -1.345390
N 0.362769 1.549964 -0.658188
C -0.522982 -4.733490 0.976977
C 1.046509 -5.798455 -0.686048
C 0.326477 -3.444831 -1.018319
C -0.450621 -0.660210 -1.567592
C -1.954600 -5.247350 0.715752
C 2.471687 -5.808417 -0.098281
C 0.610762 0.344852 -1.127476
C 3.153842 0.471613 -1.023670
C -0.922048 2.012865 -0.288102
C -1.774095 1.322270 0.618911
C -1.343876 3.292019 -0.760045
C -3.425435 3.125560 0.517075
C 4.318847 -0.290836 -1.329049
C 3.296462 1.753248 -0.423558
C -3.013260 1.869083 1.023857
C -2.579801 3.834501 -0.375280
C 5.599393 0.215986 -1.036044
C 4.588519 2.243813 -0.133897
C 5.745429 1.489050 -0.433607
C -5.539736 3.081503 1.782126
C -6.761422 3.980339 1.955747
H 0.027246 -5.437322 1.627464
H -0.547420 -3.762877 1.502926
H 1.090024 -5.815931 -1.787668
H 0.472047 -6.679177 -0.344290
H -1.434485 -0.177754 -1.656363
H -0.172315 -1.154675 -2.517117
H -2.517887 -4.537188 0.087360
H -1.941725 -6.228848 0.208664
H -2.492040 -5.364784 1.674080
H 3.043290 -4.941989 -0.470886
H 2.457337 -5.775014 1.006249
H 2.997660 -6.729911 -0.406630
H 1.951581 -1.054280 -1.774342
H -1.443765 0.368274 1.046987
H -0.680055 3.843087 -1.433770
H 4.211779 -1.279250 -1.794122
H 2.398224 2.332233 -0.203360
H -3.632748 1.313406 1.734307
H -2.909826 4.810472 -0.744782
H 6.484485 -0.383402 -1.278125
H 4.687493 3.232174 0.330040
H 6.741825 1.883071 -0.206015
H -5.017763 2.921059 2.748854
H -5.824222 2.091276 1.368225
H -7.481144 3.515501 2.654133
H -7.265864 4.141399 0.987708
H -6.465771 4.963615 2.359678


