%chk=000226993.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226993

0 1
 S    1.878200       2.036800      0.5120000    
 O    2.843300       2.892000     -0.1514000    
 O    1.631400       2.173700       1.934700    
 N   0.3900000       2.116800     -0.3183000    
 N  -0.6079000       1.142200      8.3600000E-02
 N    3.531800      -3.579600     -0.5277000    
 C    2.369800      0.3664000      0.2028000    
 C    3.134500      8.3999999E-02 -0.9154000    
 C    1.980400     -0.6262000       1.084800    
 C   -2.776500      0.1652000     -0.1886000    
 C   -1.728600       1.151200     -0.5731000    
 C    3.138900      -2.247300     -0.2817000    
 C    3.522000      -1.233600      -1.159600    
 C    2.368100      -1.943800      0.8405000    
 C   -3.640100     -0.2953000      -1.158200    
 C   -2.844600     -0.2517000       1.122700    
 C   -2.029200       2.102700      -1.713100    
 C   -4.621400      -1.218900     -0.7983000    
 C   -3.825900      -1.175500       1.482500    
 C   -4.714300      -1.659000      0.5219000    
 H    3.436000      0.8575000      -1.614900    
 H    1.375700     -0.4108000       1.960300    
 H   0.4023000       2.402200      -1.304600    
 H    4.121200      -1.457800      -2.038400    
 H    2.062000      -2.725300       1.531400    
 H   -3.574500      7.7000000E-03  -2.198100    
 H   -2.167900      0.1187000       1.886800    
 H   -1.689400       3.112000      -1.462100    
 H   -3.100500       2.182600      -1.913400    
 H   -1.515300       1.761200      -2.616000    
 H   -5.309300      -1.600600      -1.547200    
 H   -3.899500      -1.517200       2.510800    
 H   -5.477600      -2.379100      0.8019000    
 H    4.089200      -3.800700      -1.342000    
 H    3.252600      -4.315100      0.1078000    


%chk=000226993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226993

0 1
S 1.930709 2.087019 0.574893
O 2.890761 3.041831 -0.331394
O 1.691079 2.303425 2.158747
N 0.224275 2.377612 -0.280780
N -0.686009 1.400326 -0.014640
N 3.426411 -3.698795 -0.390605
C 2.385982 0.304349 0.280022
C 3.199525 -0.003933 -0.826742
C 1.911525 -0.673750 1.174938
C -2.759217 0.236841 -0.314776
C -1.806183 1.301639 -0.720221
C 3.082819 -2.371977 -0.167820
C 3.551037 -1.345949 -1.046674
C 2.262939 -2.014146 0.947448
C -3.812404 -0.183370 -1.174062
C -2.630811 -0.396058 0.956484
C -2.104720 2.257881 -1.862274
C -4.704529 -1.204850 -0.778143
C -3.523108 -1.410663 1.350065
C -4.567241 -1.822727 0.484870
H 3.568065 0.794815 -1.479036
H 1.295590 -0.384836 2.031633
H 0.437644 2.678181 -1.254086
H 4.193768 -1.607871 -1.894959
H 1.904047 -2.792719 1.630098
H -3.931488 0.268824 -2.164722
H -1.828154 -0.063656 1.621845
H -1.847574 3.291561 -1.559264
H -3.167295 2.245361 -2.145471
H -1.510353 2.020094 -2.768648
H -5.505868 -1.517200 -1.457261
H -3.414885 -1.876302 2.336301
H -5.264583 -2.609248 0.794056
H 4.013214 -3.962044 -1.177288
H 3.099931 -4.434264 0.229867


