%chk=000122265.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122265

0 1
 S   -1.315700       1.122600      0.5856000    
 N   -5.155200      0.2852000     -0.4254000    
 N  -0.3661000      -1.340500      0.3470000    
 C    1.305300      0.3762000      4.9800001E-02
 C   -4.013800       1.032900      9.3400002E-02
 C   1.4000000E-02 -4.3099999E-02  0.2977000    
 C    1.916600      -1.956800     -0.1188000    
 C   -2.742800      0.2061000     -5.5799998E-02
 C    2.267600     -0.6006000     -0.1611000    
 C   0.5700000      -2.286300      0.1419000    
 C    1.698600       1.769800      1.1000000E-03
 C    2.867500      -2.969900     -0.3281000    
 C   0.2219000      -3.633600      0.1839000    
 C    1.653100       2.463600      -1.207100    
 C    2.121700       2.413900       1.162400    
 C   -6.379600       1.080100     -0.3225000    
 C   -5.308700     -0.9812000      0.2915000    
 C    2.491600      -4.309300     -0.2805000    
 C    1.167000      -4.641200     -2.4200000E-02
 C    2.031600       3.805300      -1.253900    
 C    2.500200       3.755700       1.115600    
 C    2.455200       4.451300     -9.2600003E-02
 H   -4.172300       1.307700       1.145200    
 H   -3.904400       1.964600     -0.4768000    
 H   -2.565900     -5.1300000E-02  -1.106000    
 H   -2.800200     -0.7141000      0.5302000    
 H    3.300300     -0.3174000     -0.3602000    
 H    3.907100      -2.721200     -0.5295000    
 H  -0.8094000      -3.919600      0.3828000    
 H    1.325200       1.975000      -2.121500    
 H    2.162700       1.886400       2.112400    
 H   -6.278300       2.017900     -0.8803000    
 H   -6.629900       1.321800      0.7170000    
 H   -7.226000      0.5440000     -0.7660000    
 H   -6.260200      -1.457200      2.3399999E-02
 H   -5.300600     -0.8530000       1.380200    
 H   -4.544700      -1.710200      4.1000000E-03
 H    3.229100      -5.089400     -0.4428000    
 H   0.8648000      -5.683700      1.4700000E-02
 H    1.996400       4.347100      -2.194500    
 H    2.829900       4.258900       2.019800    
 H    2.749800       5.495900     -0.1291000    


%chk=000122265-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122265

0 1
S -1.344252 1.761624 -0.862623
N -4.970972 -0.137986 0.013308
N -0.751354 -0.859246 -0.358200
C 1.184429 0.655376 -0.194232
C -3.713610 0.618113 0.230259
C -0.226347 0.369098 -0.412245
C 1.489977 -1.781010 0.113020
C -2.971882 0.828011 -1.102118
C 2.010300 -0.447458 0.054405
C 0.068997 -1.945697 -0.093306
C 1.768092 2.028568 -0.241449
C 2.296506 -2.932749 0.375545
C -0.504300 -3.253044 -0.025920
C 2.930013 2.273695 -1.023608
C 1.225884 3.098341 0.521709
C -6.005090 0.150431 1.026395
C -4.752707 -1.589775 -0.154416
C 1.715442 -4.203892 0.433903
C 0.307594 -4.362785 0.232991
C 3.530760 3.550949 -1.047796
C 1.828309 4.374512 0.499232
C 2.981526 4.607757 -0.285592
H -3.030856 0.107613 0.951176
H -3.970367 1.604836 0.657970
H -3.562851 1.447530 -1.795920
H -2.708692 -0.129811 -1.576188
H 3.079103 -0.281226 0.234200
H 3.374714 -2.806370 0.532140
H -1.583149 -3.351273 -0.183206
H 3.345565 1.463346 -1.633934
H 0.340787 2.926265 1.142588
H -6.202517 1.236528 1.061619
H -5.727992 -0.186161 2.058146
H -6.946919 -0.356998 0.748047
H -5.701516 -2.075511 -0.445963
H -4.378798 -2.083593 0.778919
H -4.014583 -1.776390 -0.952436
H 2.335623 -5.083985 0.635352
H -0.134494 -5.364042 0.283215
H 4.419171 3.722695 -1.665732
H 1.399329 5.185480 1.098174
H 3.444526 5.600632 -0.304432


