%chk=000226997.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226997

0 1
 S    2.346900       1.906400      0.6059000    
 O    3.412500       2.681100     -9.9999997E-05
 O    2.076400       2.015100       2.026600    
 N   0.8981000       2.171200     -0.2553000    
 N  -0.2052000       1.290900      8.3800003E-02
 N    3.443100      -3.808400     -0.6181000    
 N   -5.682000      -1.920700      0.6176000    
 C    2.672600      0.2068000      0.2418000    
 C   -2.454300      0.5548000     -0.2781000    
 C   -1.300600       1.440500     -0.5982000    
 C    3.434700     -0.1115000     -0.8685000    
 C    2.159300     -0.7724000       1.074100    
 C    3.182500      -2.452700     -0.3284000    
 C    3.691600      -1.452000      -1.155900    
 C    2.416300      -2.112900      0.7867000    
 C   -3.333800      0.2227000      -1.285100    
 C   -2.601400      9.9600002E-02   1.013900    
 C   -4.589100      -1.082500      0.3144000    
 C   -1.470500       2.459900      -1.705900    
 C   -4.414700     -0.6062000     -0.9851000    
 C   -3.682400     -0.7295000       1.313900    
 H    3.833100      0.6521000      -1.529200    
 H    1.556100     -0.5282000       1.943000    
 H   0.9667000       2.490400      -1.228800    
 H    4.288600      -1.704200      -2.028700    
 H    2.012800      -2.883600       1.438400    
 H   -3.208500      0.5554000      -2.310300    
 H   -1.911500      0.3696000       1.807700    
 H   -1.036000       3.418500      -1.406800    
 H   -2.522000       2.657600      -1.928300    
 H  -0.9696000       2.101000      -2.609400    
 H   -5.111200     -0.8791000      -1.773800    
 H   -3.808500      -1.092600       2.330700    
 H    3.997000      -4.055600      -1.427400    
 H    3.072500      -4.534200     -1.9300001E-02
 H   -5.809300      -2.265700       1.559700    
 H   -6.340100      -2.176300     -0.1065000    


%chk=000226997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226997

0 1
S 2.404064 1.960536 0.644260
O 3.491772 2.828328 -0.206410
O 2.175125 2.134044 2.236223
N 0.741815 2.490652 -0.214174
N -0.262042 1.578442 0.007132
N 3.318198 -3.916101 -0.511955
N -5.510017 -2.122420 0.668872
C 2.671753 0.148599 0.285217
C -2.440340 0.653846 -0.388377
C -1.365084 1.609204 -0.734546
C 3.465601 -0.203695 -0.822462
C 2.087362 -0.806918 1.138134
C 3.103438 -2.568661 -0.248346
C 3.684331 -1.566379 -1.085665
C 2.306176 -2.167978 0.868214
C -3.535399 0.396337 -1.259812
C -2.407969 -0.054878 0.850152
C -4.507475 -1.218358 0.318987
C -1.518657 2.619744 -1.860182
C -4.547503 -0.521082 -0.922069
C -3.412540 -0.965745 1.201512
H 3.922802 0.576224 -1.440604
H 1.491872 -0.485756 1.997863
H 1.023132 2.718101 -1.193679
H 4.310181 -1.862928 -1.935328
H 1.861055 -2.929465 1.518816
H -3.598382 0.901468 -2.229800
H -1.576664 0.143196 1.533881
H -1.198710 3.618889 -1.505671
H -2.557467 2.701355 -2.210773
H -0.885152 2.361680 -2.734174
H -5.374861 -0.701701 -1.619453
H -3.367214 -1.483402 2.168012
H 3.890287 -4.209985 -1.298474
H 2.912925 -4.634980 0.080675
H -5.486059 -2.605454 1.562067
H -6.300254 -2.289461 0.052936


