%chk=000041792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041792

0 1
 S   -3.133500      0.7593000      0.1984000    
 O    2.293000       2.491500     -4.1800000E-02
 O    3.710300      -1.980400     -9.2200004E-02
 O   -5.918600     -9.1799997E-02 -0.8332000    
 N  -0.4832000       1.381100      8.1699997E-02
 N    1.424700      -1.555500      6.5000001E-03
 N    3.026200      0.2598000     -6.8999998E-02
 N  -0.9171000     -0.8055000      0.1071000    
 C   0.7270000      0.7508000      3.1099999E-02
 C   0.4328000     -0.5853000      4.7699999E-02
 C    2.047500       1.288300     -2.8800000E-02
 C   -1.442100      0.4023000      0.1262000    
 C    2.785000      -1.161500     -5.3800002E-02
 C  -0.6954000       2.812100      8.6499996E-02
 C    1.061300      -2.967100      2.5900001E-02
 C    4.420400      0.6859000     -0.1321000    
 C   -3.911300     -0.8927000      0.2373000    
 C   -5.427100     -0.7913000      0.3026000    
 H  -0.4308000       3.196600     -0.9021000    
 H   -1.729000       3.068600      0.3176000    
 H  -5.2999999E-02   3.254000      0.8530000    
 H    1.944500      -3.609700     -1.1400000E-02
 H   0.4302000      -3.183600     -0.8416000    
 H   0.5088000      -3.179400      0.9464000    
 H    4.532400       1.772300     -0.1436000    
 H    4.872800      0.2666000      -1.036500    
 H    4.949500      0.2775000      0.7349000    
 H   -3.617000      -1.421000     -0.6757000    
 H   -3.537000      -1.449400       1.102100    
 H   -5.752100     -0.2678000       1.208100    
 H   -5.867800      -1.793500      0.3062000    
 H   -6.887000     -6.0800001E-02 -0.7518000    


%chk=000041792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041792

0 1
S -3.310114 1.085272 -0.847350
O 2.339098 2.509390 0.104154
O 3.366744 -2.075249 0.543758
O -5.562884 -0.383791 0.969409
N -0.606533 1.564673 -0.378319
N 1.130208 -1.513240 0.106272
N 2.824609 0.195207 0.320908
N -1.148488 -0.663076 -0.351013
C 0.583373 0.851286 -0.123186
C 0.209050 -0.501511 -0.116249
C 1.929206 1.304195 0.096117
C -1.606880 0.613332 -0.509071
C 2.490352 -1.187660 0.336103
C -0.750139 3.025981 -0.491945
C 0.710246 -2.926754 0.102442
C 4.252746 0.503485 0.564663
C -4.067793 -0.654567 -0.894551
C -4.430776 -1.184164 0.486174
H -1.112754 3.297434 -1.498883
H -1.465719 3.398451 0.261787
H 0.238447 3.478734 -0.320897
H 1.606715 -3.538937 0.278187
H 0.257106 -3.184528 -0.869560
H -0.032724 -3.105538 0.898222
H 4.359744 1.597651 0.537182
H 4.879415 0.033755 -0.211057
H 4.562568 0.107490 1.545465
H -4.967913 -0.544246 -1.520448
H -3.329314 -1.305404 -1.386376
H -3.553503 -1.125282 1.160047
H -4.723366 -2.252696 0.379819
H -5.706330 -0.549293 1.933897


