%chk=000227284.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227284

0 1
 S   -1.297400       1.946700      5.6499999E-02
 O  -0.6055000       2.222600      -1.188100    
 O   -1.882800       3.030700      0.8218000    
 O   0.1794000      -2.559200       1.037100    
 O  -0.9898000      -1.182800       2.409200    
 N  -0.2855000       1.038700       1.075700    
 N    4.592900     -0.3680000     -0.5399000    
 N    6.821500      0.4646000     -0.2085000    
 N    6.472600      -1.641600      -1.006700    
 C   0.3132000     -0.2242000      0.5869000    
 C    1.836200     -0.1611000      0.7060000    
 C    2.527900      0.9039000     -0.1575000    
 C    4.050600      0.9049000     -6.3299999E-02
 C   -2.596000      0.7970000     -0.2850000    
 C  -0.2458000      -1.335500       1.449200    
 C   -3.701100      0.7600000      0.5476000    
 C   -2.484000     -4.4700000E-02  -1.378000    
 C   -4.630100      -1.003000     -0.8182000    
 C   -4.726100     -0.1472000      0.2790000    
 C   -3.509000     -0.9518000      -1.646700    
 C   -5.726100      -1.972700      -1.106000    
 C    5.884600     -0.4773000     -0.5714000    
 H   4.1400000E-02 -0.4187000     -0.4523000    
 H    2.113100      9.3999999E-03   1.755500    
 H    2.251000      -1.143000      0.4457000    
 H    2.164900       1.896900      0.1329000    
 H    2.234700      0.7517000      -1.203800    
 H  -0.2739000       1.209900       2.088500    
 H    4.345200       1.078600      0.9788000    
 H    4.429700       1.733000     -0.6746000    
 H   -3.790800       1.411300       1.411500    
 H   -1.624700     -1.7100001E-02  -2.040600    
 H   -5.592700     -0.1803000      0.9340000    
 H   -3.422600      -1.613800      -2.504300    
 H  -0.1822000      -3.279000       1.597100    
 H   -5.532100      -2.921100     -0.5952000    
 H   -6.694500      -1.585500     -0.7715000    
 H   -5.811900      -2.163900      -2.181100    
 H    6.561500       1.380500      0.1397000    
 H    7.814200      0.2670000     -0.2760000    
 H    7.480700      -1.746900      -1.038600    
 H    5.911400      -2.430500      -1.308800    


%chk=000227284-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227284

0 1
S -1.406173 1.811319 -0.340972
O -0.800177 1.850784 -1.850538
O -1.829486 3.132081 0.500589
O 0.179568 -2.482485 -0.386536
O -0.753177 -1.588164 1.545040
N -0.047428 1.042131 0.665504
N 4.986625 -0.285893 -0.118814
N 7.230140 0.524260 0.358471
N 6.888204 -1.514336 -0.752982
C 0.604950 -0.137535 0.066891
C 2.105938 -0.167444 0.489088
C 2.892072 1.022108 -0.091357
C 4.372877 0.979114 0.337810
C -2.912128 0.659020 -0.387244
C -0.075843 -1.438407 0.501884
C -3.878713 0.789238 0.622749
C -3.016713 -0.256166 -1.446513
C -5.149264 -1.023139 -0.468443
C -5.001261 -0.064512 0.570077
C -4.150367 -1.098915 -1.474851
C -6.348657 -1.952645 -0.495167
C 6.293914 -0.394120 -0.147675
H 0.559990 -0.038310 -1.033947
H 2.168730 -0.163671 1.596132
H 2.569457 -1.104871 0.131095
H 2.429897 1.971086 0.237322
H 2.843835 0.990277 -1.196945
H -0.407001 0.880287 1.624635
H 4.421380 1.065084 1.449564
H 4.888427 1.877898 -0.079374
H -3.770058 1.549689 1.402917
H -2.258791 -0.282547 -2.236232
H -5.775061 0.018422 1.341930
H -4.263161 -1.816748 -2.295484
H -0.228663 -3.323612 -0.042866
H -6.168358 -2.844368 0.135951
H -7.255058 -1.456103 -0.106885
H -6.563696 -2.309829 -1.516910
H 6.901857 1.323578 0.892781
H 8.171265 0.561843 -0.027111
H 7.741548 -1.903141 -0.353669
H 6.230661 -2.162757 -1.183314


