%chk=000227338.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227338

0 1
 S   -1.539300       1.902300      -1.696800    
 N  -0.6506000     -0.1100000      0.4665000    
 N  -0.2962000      -3.640000     -0.6982000    
 C   0.4093000      0.6521000     -9.3400002E-02
 C  -0.4487000      -1.561600      0.5855000    
 C   -2.006200      0.2969000      0.5340000    
 C    1.765400      0.5467000      0.3779000    
 C  -0.5217000      -2.203200     -0.7941000    
 C   0.1208000       1.575200      -1.124100    
 C   -2.521000       1.251200     -0.3605000    
 C    2.790000       1.263600     -0.2963000    
 C    1.149800       2.273600      -1.762100    
 C   -2.872700     -0.2240000       1.515900    
 C    2.469900       2.100200      -1.367400    
 C    2.168400     -0.1948000       1.518100    
 C   -3.860200       1.661100     -0.2686000    
 C    4.129900       1.162100      0.1158000    
 C   -4.202500      0.1909000       1.605400    
 C    3.502800     -0.2813000       1.924800    
 C    1.007400      -3.918200     -9.2200004E-02
 C  -0.3855000      -4.265800      -2.018800    
 C   -4.695700       1.135000      0.7137000    
 C    4.486300      0.3880000       1.215000    
 H   0.4989000      -1.796900       1.045900    
 H   -1.177200      -2.049900       1.240800    
 H   -1.515300      -2.018700      -1.222700    
 H   0.2061000      -1.743800      -1.476200    
 H   0.9386000       2.964400      -2.575800    
 H   -2.521600     -0.9233000       2.270200    
 H    3.245300       2.657700      -1.889800    
 H    1.444400     -0.6366000       2.197100    
 H   -4.269600       2.389700     -0.9651000    
 H    4.913600       1.703200     -0.4118000    
 H   -4.847000     -0.2155000       2.379400    
 H    3.763300     -0.8504000       2.812500    
 H   0.9982000      -3.761900      0.9908000    
 H    1.816800      -3.332300     -0.5431000    
 H    1.264900      -4.978200     -0.2124000    
 H  -0.2808000      -5.353500      -1.938300    
 H   0.3836000      -3.893800      -2.705500    
 H   -1.367900      -4.079800      -2.467200    
 H   -5.729600       1.459900      0.7801000    
 H    5.524100      0.3290000       1.528200    


%chk=000227338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227338

0 1
S -1.233885 1.621969 -2.068866
N -0.368547 -0.215006 0.215568
N -0.401699 -3.924578 -0.674800
C 0.632328 0.732337 -0.168211
C -0.044401 -1.660934 0.324332
C -1.736056 0.194468 0.300427
C 1.895961 0.808961 0.540800
C -0.712906 -2.483785 -0.806736
C 0.386697 1.650906 -1.203846
C -2.273255 1.117462 -0.637343
C 2.926839 1.703841 0.047193
C 1.376512 2.578158 -1.640355
C -2.588855 -0.296901 1.323407
C 2.642694 2.572675 -1.056226
C 2.163494 0.059873 1.736330
C -3.603951 1.570674 -0.538767
C 4.198246 1.740416 0.710131
C -3.935625 0.120174 1.399346
C 3.404199 0.136183 2.373995
C 0.961055 -4.271879 -1.128212
C -1.422819 -4.795465 -1.292321
C -4.446466 1.062630 0.477407
C 4.442571 0.964863 1.844641
H 1.050137 -1.763082 0.263023
H -0.358026 -2.085210 1.297259
H -1.808525 -2.358795 -0.732639
H -0.400827 -2.061365 -1.794561
H 1.135556 3.271938 -2.452436
H -2.193203 -1.003921 2.060053
H 3.421692 3.254134 -1.415682
H 1.366997 -0.547544 2.175050
H -3.983736 2.297162 -1.265157
H 4.974513 2.407964 0.317122
H -4.580009 -0.279609 2.189977
H 3.580141 -0.431912 3.294095
H 1.715370 -3.677117 -0.584932
H 1.112571 -4.100819 -2.224421
H 1.160798 -5.337578 -0.916532
H -1.195182 -5.852679 -1.063658
H -1.484861 -4.691610 -2.405252
H -2.416521 -4.562265 -0.870895
H -5.486489 1.398290 0.543661
H 5.415972 1.006277 2.345234


