%chk=000227310.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227310

0 1
 S  -0.5675000      -2.668600      0.5066000    
 O    1.541900      -1.397700      -2.318700    
 O   -2.426400     -0.1654000       2.531000    
 N    2.895900      -1.819800     -0.4813000    
 N   -3.456800     -0.2388000      0.4525000    
 N    3.448000     -0.5724000     -0.5198000    
 N   -3.386900       1.115200      0.2976000    
 C  -9.0200000E-02  -3.619700     -0.9693000    
 C   -2.344700      -2.990900      0.4582000    
 C    1.411600      -3.553800      -1.224600    
 C   -3.076000      -2.307800       1.608600    
 C    1.943200      -2.144100      -1.429400    
 C   -2.946300     -0.7930000       1.611800    
 C    3.070700      0.3757000      0.4392000    
 C   -2.452900       1.657300     -0.5939000    
 C    3.375500       1.729500      0.2543000    
 C   -2.146400       3.022800     -0.5543000    
 C    2.384800     -2.0300001E-02   1.593700    
 C   -1.815900      0.8396000      -1.535000    
 C    3.000200       2.673700       1.209900    
 C   -1.216500       3.562700      -1.442800    
 C    2.009500      0.9240000       2.549300    
 C  -0.8860000       1.379500      -2.423400    
 C    2.317200       2.271000       2.357300    
 C  -0.5863000       2.741200      -2.377300    
 H  -0.3927000      -4.663500     -0.8376000    
 H  -0.6286000      -3.209700      -1.830500    
 H   -2.738700      -2.656200     -0.5064000    
 H   -2.507100      -4.071700      0.5281000    
 H    1.647500      -4.116100      -2.136400    
 H    1.947100      -4.056300     -0.4098000    
 H   -2.715600      -2.685900       2.573200    
 H   -4.144400      -2.551100       1.555800    
 H    3.256200      -2.449500      0.2275000    
 H   -3.943800     -0.7510000     -0.2748000    
 H    3.916700     -0.2875000      -1.370300    
 H   -3.827500       1.696000      0.9993000    
 H    3.906900       2.057700     -0.6358000    
 H   -2.629700       3.674900      0.1693000    
 H    2.136300      -1.059900       1.787800    
 H   -2.026800     -0.2236000      -1.611000    
 H    3.239100       3.722500       1.060200    
 H  -0.9827000       4.622700      -1.406700    
 H    1.479000      0.6107000       3.443700    
 H  -0.3967000      0.7410000      -3.153000    
 H    2.024800       3.006200       3.101400    
 H   0.1379000       3.161500      -3.068900    


%chk=000227310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227310

0 1
S -0.489745 -3.202690 0.625257
O 1.412042 -1.355156 -2.297561
O -1.994321 -0.218051 2.621147
N 2.867237 -1.908806 -0.557162
N -3.213947 -0.236725 0.637381
N 3.468206 -0.649340 -0.442071
N -3.172241 1.148533 0.427543
C -0.158791 -3.715497 -1.170925
C -2.384892 -3.196027 0.618060
C 1.359166 -3.653669 -1.428920
C -2.904824 -2.373976 1.817377
C 1.858022 -2.200924 -1.470223
C -2.629429 -0.862055 1.737476
C 2.871031 0.359412 0.378783
C -2.190386 1.703627 -0.453610
C 3.487844 1.638240 0.415220
C -2.206212 3.108787 -0.662082
C 1.727009 0.104789 1.173831
C -1.252608 0.899810 -1.145846
C 2.950301 2.651665 1.235085
C -1.281345 3.695447 -1.549694
C 1.198575 1.128223 1.991133
C -0.335680 1.497661 -2.038390
C 1.805620 2.404076 2.030240
C -0.345632 2.895087 -2.248679
H -0.540245 -4.739054 -1.323850
H -0.679214 -3.010896 -1.842012
H -2.716258 -2.776163 -0.348797
H -2.734648 -4.240023 0.688874
H 1.562081 -4.096783 -2.422301
H 1.901680 -4.260095 -0.679015
H -2.441207 -2.729547 2.752853
H -3.997300 -2.539299 1.911709
H 3.180248 -2.618823 0.109615
H -3.803442 -0.763489 -0.011489
H 3.925149 -0.333743 -1.301772
H -3.388065 1.686404 1.272413
H 4.382121 1.832767 -0.190452
H -2.942887 3.730668 -0.138363
H 1.223869 -0.866095 1.130292
H -1.202015 -0.177035 -0.957178
H 3.429117 3.637774 1.252494
H -1.296621 4.781412 -1.699745
H 0.291791 0.921586 2.570862
H 0.398758 0.855782 -2.535846
H 1.387295 3.196807 2.659440
H 0.371691 3.356505 -2.935802


