%chk=000119157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119157

0 1
 S   0.2464000      0.8392000     -0.9485000    
 O   0.3778000       2.337900     -0.9209000    
 N    2.804600      -1.807900     -0.5298000    
 N   -2.528800       1.174000     -0.9233000    
 N   -1.786500     -0.5477000      0.2704000    
 C    2.532000      0.3841000      0.5081000    
 C    1.041500      0.2108000      0.5549000    
 C    3.350300     -0.6089000     -2.1199999E-02
 C   -1.442800      0.4577000     -0.5029000    
 C   -3.647900      0.5920000     -0.3853000    
 C    3.081800       1.561300       1.006300    
 C   -3.158300     -0.4803000      0.3553000    
 C    4.732500     -0.4226000     -5.2800000E-02
 C    4.463900       1.747300      0.9746000    
 C    5.289200      0.7554000      0.4451000    
 C   -5.005000      0.9020000     -0.4802000    
 C    2.618100      -2.953100      0.3372000    
 C    2.412300      -1.901300      -1.921100    
 C   -4.061800      -1.302700       1.049100    
 C   -5.890200      7.2899997E-02  0.2166000    
 C   -5.429200      -1.010400      0.9683000    
 H   0.7661000     -0.8379000      0.6948000    
 H   0.6280000      0.7526000       1.414700    
 H    2.450900       2.343000       1.420800    
 H   -2.512000       1.988000      -1.523400    
 H    5.385900      -1.188300     -0.4633000    
 H    4.897400       2.664600       1.361900    
 H    6.365300      0.9005000      0.4204000    
 H   -5.360300       1.743300      -1.064100    
 H    3.584100      -3.415600      0.5653000    
 H    2.142500      -2.668500       1.281600    
 H    1.986100      -3.711700     -0.1367000    
 H    1.331600      -2.055900      -2.003000    
 H    2.671900     -0.9985000      -2.485000    
 H    2.916700      -2.747700      -2.399300    
 H   -3.713500      -2.146700       1.635900    
 H   -6.957300      0.2763000      0.1718000    
 H   -6.141500      -1.636700       1.499200    


%chk=000119157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119157

0 1
S 0.161284 1.185896 -1.269533
O -0.160328 2.832195 -1.063310
N 2.622301 -1.862539 0.017873
N -2.499418 1.412884 -0.533896
N -1.868111 -0.787711 -0.680400
C 2.584532 0.606784 0.349825
C 1.109298 0.651034 0.472282
C 3.302280 -0.640016 0.214768
C -1.500802 0.490107 -0.789445
C -3.648939 0.673903 -0.220271
C 3.318878 1.817614 0.494658
C -3.239329 -0.707809 -0.314616
C 4.723688 -0.613697 0.347934
C 4.723587 1.827909 0.575750
C 5.420610 0.596159 0.525126
C -4.962930 1.047900 0.128852
C 3.261874 -3.121889 0.424632
C 1.623104 -2.017277 -1.064770
C -4.168204 -1.740199 -0.052674
C -5.872383 0.000420 0.385105
C -5.482608 -1.369267 0.296037
H 0.642631 -0.311898 0.723347
H 0.734610 1.479582 1.093119
H 2.758677 2.756513 0.580038
H -2.312700 2.422639 -0.576648
H 5.287895 -1.548492 0.271853
H 5.266083 2.770821 0.696666
H 6.513809 0.579910 0.604308
H -5.270289 2.095949 0.199024
H 3.986527 -3.510926 -0.327212
H 3.786480 -2.993735 1.386091
H 2.480128 -3.890260 0.563790
H 0.617300 -2.286682 -0.690454
H 1.541159 -1.086315 -1.647633
H 1.956214 -2.806779 -1.770054
H -3.865389 -2.789229 -0.121896
H -6.904615 0.244136 0.659211
H -6.225105 -2.147136 0.504022


