%chk=000122935.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122935

0 1
 S  -0.9999000      -2.018000      1.9000000E-03
 O    4.529400       1.897100     -6.0000003E-04
 O   -5.674600     -0.2180000     -2.4000001E-03
 N  -0.4308000       1.101700      2.3000001E-03
 C   0.6615000      0.2263000      1.8000000E-03
 C   0.5555000      -1.167500      1.5000000E-03
 C   -1.656800      0.6824000      1.5000000E-03
 C   -2.138700     -0.7267000      5.0000002E-04
 C    3.092600      2.6500000E-02 -3.0000001E-04
 C    1.939600      0.8099000      1.2000001E-03
 C    1.721800      -1.951400       0.000000    
 C    2.983100      -1.357700     -1.1000000E-03
 C   -2.710500       1.734900      6.9999998E-04
 C   -3.449700      -1.002700     -7.9999998E-04
 C    4.403000      0.6561000     -8.9999998E-04
 C   -4.012600       1.450000     -1.2000001E-03
 C   -4.479500      5.4900002E-02 -1.7000000E-03
 C    5.666600     -0.1979000     -2.4000001E-03
 H    2.015500       1.896300      1.6000000E-03
 H    1.661400      -3.038100     -5.0000002E-04
 H    3.848900      -2.012200     -2.3000001E-03
 H   -2.382000       2.769600      1.2000001E-03
 H   -3.822800      -2.023300     -1.2000001E-03
 H   -4.758600       2.236500     -1.9000000E-03
 H    6.542600      0.4588000     -2.4000001E-03
 H    5.707100     -0.8147000      0.8991000    
 H    5.705900     -0.8130000     -0.9050000    


%chk=000122935-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122935

0 1
S -1.017627 -2.097771 -0.000233
O 4.522318 1.970143 -0.000937
O -5.814316 -0.173072 -0.000471
N -0.422597 1.082205 0.000259
C 0.664725 0.194717 -0.000046
C 0.573945 -1.236984 -0.000283
C -1.698528 0.684443 0.000254
C -2.200961 -0.707774 -0.000193
C 3.131613 0.005357 -0.000426
C 1.956057 0.786851 -0.000162
C 1.744488 -2.029854 -0.000619
C 3.009237 -1.415122 -0.000671
C -2.706374 1.745590 0.000408
C -3.549025 -0.986967 -0.000514
C 4.466216 0.706359 -0.000478
C -4.051410 1.477596 0.000222
C -4.560425 0.085807 -0.000425
C 5.737978 -0.133544 -0.001238
H 2.028966 1.878594 -0.000028
H 1.664606 -3.122285 -0.000864
H 3.904013 -2.045489 -0.000914
H -2.308852 2.765457 0.000766
H -3.933146 -2.013454 -0.000893
H -4.801830 2.275566 0.000422
H 6.609765 0.537664 -0.001480
H 5.784975 -0.787338 0.890086
H 5.784190 -0.786894 -0.892941


