%chk=000148252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148252

0 1
 S  -0.5828000      -1.460800      -1.582000    
 O   -2.788600      -1.376700       1.467200    
 O   -4.132300      -1.558600     -0.3499000    
 O   -1.758400       2.990600      7.7100001E-02
 N   -1.533800      0.7432000      0.6434000    
 N    1.487900      -1.682700       1.001600    
 N    1.349400      0.3739000      -2.044300    
 N    3.346200     -0.5187000       1.402100    
 N    3.264200      0.8462000     -0.6082000    
 C   -2.465700      0.2024000     -0.3143000    
 C   -1.795800     -0.1011000      -1.656800    
 C    1.623800     -0.8266000     -5.4000001E-02
 C   0.9165000     -0.5670000      -1.195100    
 C   -3.218200     -0.9959000      0.2404000    
 C    2.784600     -0.1149000      0.2176000    
 C   -1.259600       2.097300      0.7568000    
 C    2.542800      -1.461100       1.847000    
 C  -0.2699000       2.391500       1.852200    
 C    2.489700       1.019000      -1.700900    
 H   -3.228700      0.9741000     -0.4805000    
 H   -1.328400      0.7982000      -2.071900    
 H   -2.562100     -0.4161000      -2.374400    
 H   -1.057500      9.1200002E-02   1.260100    
 H   0.7452000      -2.355600       1.137600    
 H    2.664200      -2.017700       2.765400    
 H   0.2408000       3.334300       1.637500    
 H  -0.8014000       2.474500       2.803900    
 H   0.4825000       1.601600       1.926000    
 H    2.825400       1.778200      -2.399200    
 H   -3.290900      -2.146800       1.809100    


%chk=000148252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148252

0 1
S -0.579719 -1.612900 -0.710497
O -3.592807 -0.773103 1.618097
O -4.280741 -1.532305 -0.467124
O -1.885302 2.968499 -0.665824
N -1.966992 1.083093 0.675624
N 2.399870 -2.534592 0.618671
N 1.090757 0.595203 -0.969917
N 4.324462 -1.299895 0.800181
N 3.433098 0.765588 -0.262387
C -2.672049 0.325824 -0.354153
C -1.727734 -0.286321 -1.422109
C 2.109189 -1.288189 0.062765
C 0.980686 -0.677121 -0.527179
C -3.596745 -0.745047 0.217893
C 3.324274 -0.524153 0.181236
C -1.600720 2.400681 0.432914
C 3.735151 -2.481826 1.039685
C -0.834686 3.092101 1.551169
C 2.294667 1.250211 -0.821634
H -3.304225 1.048972 -0.914781
H -1.072095 0.502433 -1.827481
H -2.303194 -0.783564 -2.217292
H -1.802661 0.642050 1.580547
H 1.767851 -3.331116 0.695544
H 4.225617 -3.330757 1.511867
H 0.216242 3.223847 1.237258
H -1.258949 4.096440 1.713576
H -0.848923 2.532564 2.502402
H 2.325518 2.274450 -1.202868
H -4.210738 -1.485166 1.937316


