%chk=000227022.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227022

0 1
 S    1.596600      -3.082000     -0.5830000    
 O    2.445700      -4.082800      3.3900000E-02
 O    1.332100      -3.120900      -2.008500    
 O   -5.304000       2.453400     -0.6775000    
 O    3.163300       3.604200      -1.036600    
 N   0.1117000      -3.009800      0.2539000    
 N  -0.7543000      -1.898500     -9.6100003E-02
 N    3.946700       2.210400      0.6962000    
 C    2.297800      -1.503900     -0.2020000    
 C    2.036900     -0.4305000      -1.035200    
 C    3.093600      -1.373100      0.9223000    
 C    3.394500      0.9653000      0.3949000    
 C    2.589800      0.8143000     -0.7343000    
 C    3.646500     -0.1284000       1.223200    
 C   -2.780000     -0.6667000      0.2361000    
 C   -1.865900      -1.794800      0.5678000    
 C   -3.576200     -0.1451000       1.232300    
 C   -2.796900     -0.1841000      -1.054300    
 C   -2.283800      -2.751600       1.665700    
 C   -4.470300       1.420800     -0.3755000    
 C   -4.432100      0.9119000      0.9225000    
 C   -3.652700      0.8730000      -1.363900    
 C    3.806800       3.412900     -9.8999999E-03
 C    4.565500       4.538700      0.6469000    
 C   -6.111100       2.967400      0.3810000    
 H    1.408100     -0.5280000      -1.914900    
 H    3.294800      -2.210000       1.583800    
 H    2.348700       1.613400      -1.421200    
 H    4.270100     -2.4499999E-02   2.107600    
 H   8.9000002E-02  -3.339400       1.226100    
 H   -3.547000     -0.5026000       2.256500    
 H   -2.174300     -0.6020000      -1.839600    
 H    4.521600       2.238800       1.535700    
 H   -2.075400      -3.783300       1.367100    
 H   -3.356400      -2.703900       1.869600    
 H   -1.729600      -2.519700       2.579600    
 H   -5.035200       1.294500       1.738900    
 H   -3.679200       1.264600      -2.377200    
 H    4.168500       4.715400       1.650400    
 H    4.458300       5.452400      5.5900000E-02
 H    5.626600       4.282300      0.7132000    
 H   -6.811400       2.213200      0.7558000    
 H   -6.712000       3.781700     -3.6800001E-02
 H   -5.499100       3.399300       1.180200    


%chk=000227022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227022

0 1
S 1.687707 -3.271752 -0.544753
O 2.510955 -4.302184 0.414965
O 1.550770 -3.472674 -2.141897
O -4.685022 2.872459 -0.376372
O 2.997585 3.613579 -1.292464
N -0.097669 -3.390628 0.205419
N -0.809389 -2.226724 0.047004
N 3.763561 2.346032 0.531089
C 2.300738 -1.522965 -0.228805
C 2.018104 -0.523775 -1.174103
C 3.046270 -1.287755 0.938972
C 3.249133 1.057556 0.230807
C 2.495728 0.782290 -0.945514
C 3.524935 0.015295 1.161896
C -2.697742 -0.797830 0.435187
C -1.965594 -2.062892 0.679868
C -3.844738 -0.440208 1.190790
C -2.255836 0.114451 -0.572848
C -2.516196 -3.141528 1.597809
C -4.081630 1.651330 -0.049402
C -4.536266 0.770003 0.960796
C -2.932509 1.315082 -0.815304
C 3.629220 3.535528 -0.200694
C 4.305451 4.748431 0.432123
C -5.883592 3.258770 0.372667
H 1.454535 -0.764724 -2.080548
H 3.268220 -2.105903 1.631613
H 2.297785 1.587533 -1.654364
H 4.118961 0.224515 2.060193
H 0.060704 -3.772490 1.163001
H -4.211331 -1.098385 1.985489
H -1.372788 -0.149874 -1.161460
H 4.300420 2.412314 1.398678
H -2.280049 -4.139003 1.181086
H -3.608596 -3.071925 1.707953
H -2.071977 -3.086691 2.612568
H -5.414036 1.008249 1.568787
H -2.599543 2.010440 -1.591741
H 3.535200 5.499800 0.679070
H 4.980725 5.207074 -0.309726
H 4.881841 4.518742 1.345017
H -6.696063 2.518207 0.239884
H -6.189136 4.225465 -0.053264
H -5.662547 3.379064 1.451129


