%chk=000148411.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148411

0 1
 S   -1.910000      -2.677900      0.2869000    
 O    5.275800      0.8871000     -0.1981000    
 O   -3.172400       1.778900     -0.1972000    
 N   -1.034500     -0.2617000      7.1999999E-03
 N   -3.425800     -0.5505000      6.8000004E-02
 N   -5.276800      0.8375000     -6.5300003E-02
 C    1.401500     -0.5877000      1.3100000E-02
 C   6.1200000E-02  -1.097800      8.6199999E-02
 C    2.420300      -1.377700     -0.5191000    
 C    1.684500      0.6980000      0.4744000    
 C    4.005400      0.4036000     -0.1289000    
 C    3.722300     -0.8821000     -0.5900000    
 C    2.986500       1.193700      0.4034000    
 C  -0.2123000      -2.440100      0.2389000    
 C   -2.127600     -0.9859000      0.1016000    
 C   -3.878100      0.7807000     -7.6600000E-02
 C    5.494900       2.209400      0.2910000    
 C   -6.014900       2.072500     -0.1954000    
 H    2.236300      -2.376900     -0.9051000    
 H   0.9073000       1.330100      0.8977000    
 H    4.511500      -1.500400      -1.009100    
 H    3.136700       2.199500      0.7804000    
 H   0.4590000      -3.282000      0.3367000    
 H   -4.130900      -1.276700      0.1570000    
 H   -5.797800     -2.1100000E-02  8.2699999E-02
 H    5.284800       2.281600       1.363600    
 H    4.938900       2.951500     -0.2919000    
 H    6.558900       2.430900      0.1583000    
 H   -6.119000       2.517700      0.7971000    
 H   -7.002000       1.845900     -0.6047000    
 H   -5.485100       2.765100     -0.8541000    


%chk=000148411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148411

0 1
S -2.028546 -3.035240 0.109634
O 5.245710 1.002449 0.000660
O -3.192165 1.358327 1.051256
N -1.091194 -0.531098 -0.123872
N -3.509851 -0.658191 -0.169454
N -5.138030 1.018211 -0.211813
C 1.380623 -0.755777 -0.009071
C 0.039049 -1.372167 -0.000845
C 2.573948 -1.532763 -0.031099
C 1.499948 0.657647 0.013294
C 3.937181 0.495182 -0.001310
C 3.836023 -0.920196 -0.027084
C 2.762403 1.287162 0.018748
C -0.257703 -2.727484 0.102682
C -2.223749 -1.187085 -0.088056
C -3.887492 0.649270 0.282831
C 5.405197 2.458139 0.030465
C -5.773461 2.275135 0.198461
H 2.520702 -2.626917 -0.057671
H 0.582520 1.253916 0.032396
H 4.756978 -1.510793 -0.045899
H 2.814834 2.379769 0.040439
H 0.421747 -3.572570 0.180248
H -4.253233 -1.293626 -0.463960
H -5.553910 0.490221 -0.980003
H 4.960677 2.893132 0.946702
H 4.951114 2.931335 -0.861916
H 6.491852 2.628318 0.028285
H -6.783420 2.096426 0.610602
H -5.847566 2.986963 -0.644972
H -5.141586 2.727506 0.979022


