%chk=000178601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178601

0 1
 S  -0.1518000      -1.210700       2.594600    
 P  -4.7699999E-02 -0.6582000      0.7154000    
 O   0.2405000      -1.910600     -0.2970000    
 N    1.110400      0.4722000      0.3375000    
 N   -1.447300     -8.1000002E-03  9.8800004E-02
 C    1.296000      0.7600000      -1.091100    
 C    2.405500      0.3272000       1.015800    
 C   -1.849100       1.298600      0.6370000    
 C   -2.599800     -0.9145000      7.7000000E-03
 C    2.147100       2.005900      -1.327600    
 C    3.290600       1.560500      0.8471000    
 C   -2.957500       1.950800     -0.1867000    
 C   -3.730900     -0.3326000     -0.8374000    
 C    3.493100       1.899700     -0.6235000    
 C   -4.164400       1.031700     -0.3182000    
 C    1.489000      -2.582900     -0.2694000    
 C    1.476400      -3.689000      -1.302900    
 H   0.3276000      0.9308000      -1.573500    
 H    1.753500     -8.8200003E-02  -1.610400    
 H    2.966000     -0.5466000      0.6826000    
 H    2.259900      0.2092000       2.093400    
 H  -0.9983000       1.988000      0.6468000    
 H   -2.179300       1.192800       1.677700    
 H   -2.975800      -1.153800       1.009900    
 H   -2.294900      -1.861600     -0.4510000    
 H    1.611000       2.890200     -0.9604000    
 H    2.302500       2.150700      -2.402700    
 H    4.262200       1.389700       1.324900    
 H    2.829900       2.415300       1.358500    
 H   -2.574700       2.197400      -1.185300    
 H   -3.260900       2.894200      0.2810000    
 H   -4.586100      -1.017900     -0.8348000    
 H   -3.399100     -0.2389000      -1.879300    
 H    4.097300       1.118700      -1.101100    
 H    4.045100       2.840800     -0.7211000    
 H   -4.647600      0.9166000      0.6598000    
 H   -4.904100       1.474800     -0.9939000    
 H    2.298300      -1.913800     -0.5494000    
 H    1.676000      -2.993200      0.7264000    
 H    2.429400      -4.225500      -1.314700    
 H   0.6727000      -4.402300      -1.092500    
 H    1.286900      -3.282300      -2.301900    


%chk=000178601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178601

0 1
S 0.511373 -1.425485 2.644125
P 0.281404 -0.822946 0.652995
O 0.270637 -2.149181 -0.511057
N 1.472023 0.336219 0.152787
N -1.217500 -0.084265 0.100666
C 1.512954 0.805551 -1.254621
C 2.695953 0.600865 0.939809
C -1.581861 1.186922 0.790656
C -2.392821 -0.968819 -0.143438
C 1.808744 2.321349 -1.298635
C 3.006755 2.114359 0.937242
C -2.585554 1.976657 -0.075305
C -3.411767 -0.225339 -1.033011
C 3.095499 2.657522 -0.508637
C -3.832273 1.119542 -0.396265
C 1.138441 -3.319885 -0.229426
C 0.713172 -4.422760 -1.197569
H 0.543551 0.577015 -1.728889
H 2.306976 0.256028 -1.808587
H 3.556933 0.047228 0.500499
H 2.538956 0.225278 1.966588
H -0.661184 1.774013 0.954462
H -2.030377 0.970903 1.787743
H -2.874080 -1.249780 0.822282
H -2.038638 -1.887474 -0.635117
H 0.948905 2.866769 -0.862212
H 1.904904 2.642003 -2.354371
H 3.956540 2.289454 1.478651
H 2.205672 2.643808 1.489269
H -2.086436 2.277888 -1.017117
H -2.874395 2.900932 0.461717
H -4.294220 -0.875709 -1.188662
H -2.950960 -0.042098 -2.022922
H 3.967011 2.195838 -1.018656
H 3.270325 3.750051 -0.502275
H -4.390821 0.921944 0.542102
H -4.516665 1.670008 -1.069058
H 2.197918 -3.033493 -0.385716
H 1.008429 -3.622151 0.827983
H 1.339938 -5.321018 -1.044166
H -0.341730 -4.700523 -1.030286
H 0.825870 -4.092120 -2.244479


