%chk=000044548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044548

0 1
 S   -1.298500       1.319700      0.2278000    
 O    3.816900      0.8136000     -0.6345000    
 N    1.161700      0.2839000      0.2308000    
 N  -0.6980000      -1.147400     -0.1179000    
 N   -2.078100      -1.083100     -0.2012000    
 C    2.180200     -0.7513000      0.1362000    
 C    3.564200     -0.1651000      0.3652000    
 C  -0.1884000      3.2400001E-02  0.1013000    
 C   -2.520300      0.1455000     -3.8500000E-02
 C   -3.939600      0.5518000     -6.9200002E-02
 H    2.134500      -1.201200     -0.8625000    
 H    1.988100      -1.533900      0.8786000    
 H    1.476500       1.236500      0.3945000    
 H    4.327600     -0.9457000      0.2936000    
 H    3.632100      0.3149000       1.346900    
 H   -4.241100      0.9989000      0.8835000    
 H   -4.124100       1.275600     -0.8695000    
 H   -4.583600     -0.3152000     -0.2490000    
 H    4.706600       1.168600     -0.4670000    


%chk=000044548-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044548

0 1
S -1.289183 1.520368 -0.200025
O 3.924993 0.935614 -0.223805
N 1.262942 0.341094 -0.191505
N -0.642783 -1.084593 0.070595
N -2.043502 -1.026118 0.155340
C 2.236778 -0.760375 -0.154027
C 3.518572 -0.273435 0.522707
C -0.083582 0.125831 -0.105472
C -2.566624 0.182482 0.040365
C -4.028257 0.505042 0.088320
H 2.466847 -1.109869 -1.180576
H 1.793560 -1.604214 0.400121
H 1.644844 1.263348 -0.406432
H 4.295691 -1.061869 0.460791
H 3.320961 -0.027576 1.585968
H -4.266353 1.196452 0.917170
H -4.373224 0.974127 -0.851258
H -4.588708 -0.431886 0.239626
H 4.733728 1.334076 0.181197


