%chk=000163649.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163649

0 1
 S   0.7714000      -2.260100      1.5400000E-02
 O   -1.696800       1.621300      1.0600000E-02
 N    2.326200      -1.672500      1.1800000E-02
 N   -1.363000     -0.6854000      2.6000000E-03
 N   -3.536800      0.2183000     -5.2999998E-03
 C    3.536900      0.4085000     -3.0000000E-03
 C    2.264400     -0.3431000      2.0000001E-03
 C    3.718500       1.293800       1.250900    
 C    3.720000       1.274800      -1.269900    
 C   0.9692000      0.2493000     -3.1000001E-03
 C   3.4800000E-02 -0.7318000      3.7000000E-03
 C   -2.144400      0.4726000     -6.3999998E-03
 C   -4.521100       1.293000      1.5900001E-02
 C   -4.079200      -1.138600     -2.5200000E-02
 H    4.370700     -0.3083000      2.9000000E-03
 H    2.962200       2.085100       1.296200    
 H    4.705700       1.767900       1.249600    
 H    3.631600      0.6941000       2.163700    
 H    3.634000      0.6615000      -2.173600    
 H    4.707200       1.748900      -1.274600    
 H    2.963800       2.065400      -1.327800    
 H   0.7782000       1.313400     -1.1400000E-02
 H   -1.798500      -1.600600      8.5000005E-03
 H   -5.143000       1.184000      0.9090000    
 H   -5.142900       1.219400     -0.8810000    
 H   -4.037600       2.272700      3.5100002E-02
 H   -5.172500      -1.113400     -6.1099999E-02
 H   -3.766000      -1.665100      0.8812000    
 H   -3.710000      -1.665800     -0.9098000    


%chk=000163649-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163649

0 1
S 0.854811 -2.509342 0.005951
O -1.564328 1.519501 0.000533
N 2.510555 -1.734720 0.002680
N -1.369117 -0.825240 0.003958
N -3.502616 0.195817 -0.006441
C 3.578252 0.474927 -0.004348
C 2.327669 -0.394075 -0.000722
C 3.642997 1.351229 1.273783
C 3.640257 1.344318 -1.287330
C 0.979908 0.123276 -0.000403
C 0.027851 -0.886370 0.003248
C -2.118609 0.379572 -0.000947
C -4.364530 1.390395 0.002876
C -4.146419 -1.126799 -0.013696
H 4.442007 -0.216482 -0.003393
H 2.789782 2.052910 1.318073
H 4.574389 1.946784 1.281197
H 3.621942 0.728436 2.185402
H 3.617310 0.716627 -2.195536
H 4.571601 1.939861 -1.299913
H 2.786902 2.045703 -1.333581
H 0.711031 1.177425 -0.002096
H -1.871309 -1.713004 0.013176
H -5.008264 1.403933 0.902647
H -5.005432 1.419828 -0.898502
H -3.717560 2.280048 0.011371
H -5.238430 -0.990148 -0.044297
H -3.917588 -1.712285 0.900360
H -3.870061 -1.722825 -0.907151


