%chk=000052554.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052554

0 1
 S   -6.634800      0.8219000     -0.9620000    
 N    2.468000      -1.859200     -0.5350000    
 N   -3.029400     -0.1867000      0.6004000    
 C   0.6922000     -0.9324000      0.4215000    
 C  -0.6474000     -0.7578000       1.018600    
 C    1.682600      7.5099997E-02  0.2517000    
 C   -1.722300     -0.3818000     -1.7700000E-02
 C    2.786500     -0.5325000     -0.3504000    
 C    1.204400      -2.110300     -7.1599998E-02
 C    1.746200       1.450000      0.5534000    
 C   -4.029700      0.1572000     -0.3996000    
 C    3.955300      0.1687000     -0.6673000    
 C    2.908900       2.164300      0.2422000    
 C    3.995400       1.531500     -0.3587000    
 C   -5.375800      0.3921000      0.2745000    
 H  -0.9454000      -1.684600       1.527100    
 H  -0.6061000      1.2800000E-02   1.799400    
 H   -1.781800      -1.178200     -0.7705000    
 H   -1.413900      0.5345000     -0.5378000    
 H   0.7848000      -3.104700     -0.1355000    
 H    3.079200      -2.547400     -0.9524000    
 H   -2.969700      0.5518000       1.300900    
 H   0.9080000       1.959300       1.020400    
 H   -4.117400     -0.6596000      -1.127000    
 H   -3.723100       1.062300     -0.9392000    
 H    4.801600     -0.3231000      -1.135100    
 H    2.963400       3.225000      0.4722000    
 H    4.888600       2.105500     -0.5918000    
 H   -5.313100       1.212700      0.9971000    
 H   -5.708100     -0.5048000      0.8080000    
 H   -6.583500     -0.3318000      -1.644100    


%chk=000052554-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052554

0 1
S -6.828786 0.939754 -0.793645
N 2.643813 -1.967128 -0.352431
N -3.012481 -0.135398 0.558386
C 0.724625 -1.029415 0.476248
C -0.676995 -0.865315 1.010065
C 1.690218 0.028699 0.217414
C -1.661011 -0.272768 -0.030631
C 2.884433 -0.589263 -0.300892
C 1.345684 -2.225733 0.117888
C 1.666742 1.439809 0.383841
C -4.049415 0.384748 -0.358860
C 4.031705 0.155788 -0.653561
C 2.807531 2.188676 0.036383
C 3.977205 1.553574 -0.478789
C -5.438000 0.231713 0.284424
H -1.083627 -1.835712 1.349020
H -0.662720 -0.200699 1.900181
H -1.729063 -0.959386 -0.896161
H -1.252842 0.692325 -0.419576
H 0.958546 -3.242250 0.167118
H 3.307426 -2.670879 -0.667035
H -2.982389 0.404302 1.436023
H 0.775563 1.940197 0.780130
H -4.009278 -0.215051 -1.289609
H -3.897526 1.449996 -0.658236
H 4.933601 -0.326686 -1.047212
H 2.803230 3.277323 0.160867
H 4.848564 2.163827 -0.741692
H -5.511496 0.810183 1.222331
H -5.650137 -0.825035 0.509693
H -6.689519 0.029604 -1.829982


