%chk=000227136.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227136

0 1
 S   -3.058900       1.477300     -0.1633000    
 S    2.962900       1.388400     -0.5618000    
 O   -3.173900       1.995100      -1.510100    
 O   -3.492200       2.259100      0.9752000    
 O    3.474600       2.442800      0.2839000    
 O    2.886500       1.547200      -1.996400    
 N   -1.449800      0.9553000      9.9900000E-02
 N    1.424300      0.9097000      2.1100000E-02
 C  -0.7361000      0.4515000      -1.107000    
 C   0.6746000     -5.4800000E-02 -0.8372000    
 C   -1.181200      0.2426000       1.377400    
 C    1.367400      0.5441000       1.468500    
 C   1.0700000E-02  0.8972000       2.074400    
 C   -3.899700     -7.4100003E-02 -0.1085000    
 C    3.884300     -7.7200003E-02 -0.2215000    
 C   -4.376900     -0.5442000       1.104100    
 C    3.958700      -1.071600      -1.183900    
 C   -4.068200     -0.7958000      -1.278900    
 C    4.519200     -0.2112000       1.003100    
 C   -5.040700      -1.770200       1.147600    
 C    4.686700      -2.230500     -0.9146000    
 C   -4.732200      -2.021800      -1.235400    
 C    5.247300      -1.370100       1.272200    
 C   -5.218400      -2.508800     -2.2000000E-02
 C    5.331000      -2.379800      0.3133000    
 H  -0.6659000       1.281600      -1.820500    
 H   -1.304900     -0.3543000      -1.579100    
 H   0.6486000      -1.044300     -0.3662000    
 H    1.162300     -0.2040000      -1.805100    
 H   -1.037100     -0.8309000       1.219400    
 H   -2.022900      0.3556000       2.064500    
 H    2.120200       1.103500       2.033100    
 H    1.575100     -0.5232000       1.605000    
 H  -0.1156000       1.987700       2.072800    
 H   1.9200001E-02  0.5813000       3.124800    
 H   -4.265400      1.7700000E-02   2.025900    
 H    3.466500     -0.9769000      -2.146700    
 H   -3.698400     -0.4353000      -2.233800    
 H    4.472000      0.5624000       1.763100    
 H   -5.422400      -2.148100       2.091700    
 H    4.752100      -3.016600      -1.661100    
 H   -4.870800      -2.597100      -2.146000    
 H    5.750000      -1.486300       2.228000    
 H   -5.736100      -3.463000      1.1700000E-02
 H    5.898000      -3.282100      0.5229000    


%chk=000227136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227136

0 1
S -3.250094 0.903134 0.750540
S 3.106624 1.010985 -1.113085
O -3.294739 2.170902 -0.283881
O -3.663075 1.084877 2.319253
O 3.807738 2.422221 -0.719508
O 2.771696 0.568653 -2.643715
N -1.500099 0.045967 0.784996
N 1.429263 1.032720 -0.231385
C -0.895470 0.236473 -0.570056
C 0.603314 -0.140465 -0.607429
C -0.750230 0.517106 1.985821
C 1.588692 1.327878 1.212645
C 0.225075 1.707949 1.832593
C -4.291096 -0.473185 -0.008278
C 4.169710 -0.370850 -0.354041
C -4.624361 -1.577866 0.792008
C 4.103758 -1.648637 -0.934873
C -4.721201 -0.301715 -1.333387
C 4.990344 -0.047818 0.739890
C -5.430943 -2.583399 0.211163
C 4.901899 -2.668648 -0.366475
C -5.527206 -1.319759 -1.895651
C 5.779944 -1.082223 1.294457
C -5.875821 -2.454867 -1.127010
C 5.730645 -2.386024 0.745699
H -0.993124 1.276489 -0.943007
H -1.444130 -0.432615 -1.259644
H 0.798282 -1.036921 0.022781
H 0.853159 -0.384224 -1.656629
H -0.200039 -0.368316 2.367154
H -1.519129 0.752051 2.749214
H 2.285038 2.181262 1.292674
H 2.012652 0.462525 1.777780
H -0.236197 2.529455 1.254834
H 0.429095 2.101311 2.847808
H -4.279845 -1.642634 1.828498
H 3.480351 -1.825494 -1.817537
H -4.450108 0.602699 -1.888234
H 5.033669 0.979377 1.116556
H -5.713121 -3.460205 0.803138
H 4.883382 -3.674931 -0.797723
H -5.883573 -1.220645 -2.926101
H 6.436739 -0.866664 2.143600
H -6.502265 -3.237736 -1.568064
H 6.349297 -3.180293 1.177109


