%chk=000226457.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226457

0 1
 S  -2.5800001E-02  -6.063600      1.7000001E-02
 O    2.534200      -4.520900     -0.8474000    
 O   -2.572600      -4.494500      0.8729000    
 N    5.335500       3.642600      0.4345000    
 N   -5.304900       3.685000     -0.4551000    
 N    2.115500      -1.810800     -0.6957000    
 N   -2.131000      -1.788900      0.7059000    
 N    1.122000      -2.685400     -0.9753000    
 N   -1.144900      -2.670200      0.9904000    
 C    4.437200       2.590500      0.1605000    
 C   -4.415600       2.626900     -0.1750000    
 C    4.892700       1.272200      0.1387000    
 C   -4.882200       1.312600     -0.1459000    
 C    3.093100       2.868100     -8.9400001E-02
 C   -3.069200       2.894600      7.3299997E-02
 C    2.672400      0.5239000     -0.3783000    
 C   -2.668200      0.5486000      0.3753000    
 C    4.004100      0.2317000     -0.1325000    
 C   -4.002400      0.2662000      0.1311000    
 C    2.204600       1.827600     -0.3604000    
 C   -2.189500       1.848100      0.3502000    
 C    4.872600       4.852200       1.085100    
 C    6.736300       3.522400      8.2000002E-02
 C   -4.830100       5.054000     -0.4874000    
 C   -6.702900       3.416000     -0.7280000    
 C    1.733900     -0.5753000     -0.6655000    
 C   -1.739100     -0.5568000      0.6688000    
 C   0.2142000      -4.888800      -1.336700    
 C  -0.2557000      -4.879100       1.364200    
 C    1.420100      -4.033400      -1.032400    
 C   -1.454400      -4.015400       1.055000    
 H    5.930000       1.020400      0.3407000    
 H   -5.919600       1.052800     -0.3317000    
 H    2.708500       3.884100     -9.2600003E-02
 H   -2.657500       3.899000      6.2600002E-02
 H    4.384100     -0.7857000     -0.1407000    
 H   -4.391300     -0.7478000      0.1478000    
 H    1.161700       2.056300     -0.5586000    
 H   -1.144000       2.068600      0.5445000    
 H    5.708100       5.411800       1.520500    
 H    4.182800       4.627300       1.906500    
 H    4.373500       5.512000      0.3677000    
 H    6.863800       3.070900     -0.9084000    
 H    7.272900       2.920600      0.8230000    
 H    7.219600       4.505200      4.3600000E-02
 H   -5.638900       5.757900     -0.7130000    
 H   -4.071300       5.191500      -1.265900    
 H   -4.419400       5.353800      0.4832000    
 H   -7.260400       4.337300     -0.9306000    
 H   -7.189600       2.940800      0.1310000    
 H   -6.818400       2.781300      -1.613600    
 H   0.6921000     -0.2832000     -0.8854000    
 H  -0.6947000     -0.2722000      0.8871000    
 H   0.4222000      -5.446000      -2.255900    
 H  -0.6892000      -4.299800      -1.515100    
 H  -0.4683000      -5.429400       2.286600    
 H   0.6527000      -4.296800       1.539300    
 H   0.1890000      -2.318600      -1.136300    
 H  -0.2089000      -2.310400       1.149400    


%chk=000226457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226457

0 1
S -0.424958 -4.290865 0.920407
O 2.506352 -4.445060 -1.164976
O -0.427820 -0.836301 0.172880
N 8.503235 2.128278 -0.895816
N -8.169433 3.547212 0.049721
N 3.206796 -1.706685 -0.878738
N -3.006619 -0.303908 1.178332
N 1.901681 -2.186261 -0.812707
N -2.150266 -1.268604 1.703520
C 7.249629 1.510003 -0.857005
C -7.197651 2.638297 0.465353
C 7.117726 0.089633 -1.025129
C -5.915904 2.572994 -0.182949
C 6.052094 2.267434 -0.649094
C -7.439805 1.735326 1.552466
C 4.670908 0.225403 -0.776766
C -5.187299 0.758729 1.312734
C 5.862639 -0.529461 -0.984953
C -4.943342 1.657904 0.232019
C 4.799678 1.631936 -0.611316
C -6.454180 0.823474 1.958065
C 8.610383 3.582524 -0.730880
C 9.713131 1.328807 -1.126694
C -9.474244 3.590845 0.724791
C -7.898052 4.462091 -1.069160
C 3.351241 -0.400281 -0.731299
C -4.191438 -0.206303 1.757874
C 0.142778 -3.861185 -0.848571
C -0.120679 -2.632707 1.806066
C 1.641657 -3.550285 -0.959281
C -0.895590 -1.493307 1.158172
H 8.004641 -0.529165 -1.188438
H -5.687761 3.243540 -1.015747
H 6.098990 3.352161 -0.518789
H -8.398171 1.748102 2.077855
H 5.772541 -1.613209 -1.114467
H -3.971701 1.615383 -0.271180
H 3.898836 2.238878 -0.451267
H -6.669596 0.143868 2.793079
H 9.669704 3.880384 -0.778844
H 8.207618 3.915885 0.247404
H 8.065370 4.130640 -1.527082
H 9.681910 0.804949 -2.103891
H 9.858572 0.564824 -0.336147
H 10.594587 1.989351 -1.124572
H -10.103268 4.363802 0.256838
H -9.371625 3.839615 1.800364
H -10.008864 2.622664 0.646455
H -8.780318 5.097037 -1.244164
H -7.683251 3.911774 -2.006974
H -7.036990 5.126633 -0.856189
H 2.486708 0.275408 -0.569977
H -4.483493 -0.859394 2.608721
H -0.061880 -4.787244 -1.407592
H -0.497356 -3.045412 -1.222484
H -0.422250 -2.829606 2.849113
H 0.956474 -2.411533 1.777327
H 1.100687 -1.547858 -0.595453
H -2.463362 -1.879354 2.474634


