%chk=000147531.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147531

0 1
 S    2.549900     -0.6690000     -4.7800001E-02
 O   -3.297100      -4.305600      0.7991000    
 O    6.327400      0.1183000      5.5500001E-02
 O    5.214500      -1.775100     -6.3600004E-02
 N   -2.284000      -1.847100     -0.1832000    
 N  -0.3330000     -0.5354000     -8.4899999E-02
 N  -0.4718000       1.867000      4.0899999E-02
 N    5.235800     -0.5142000      3.8999999E-03
 C   -2.484200      0.5664000     -5.7300001E-02
 C   -1.678800     -0.5680000     -0.1060000    
 C   -1.814400       1.798500      1.7899999E-02
 C   0.1958000      0.6965000     -1.1800000E-02
 C   -1.527100      -3.055100     -0.2366000    
 C   -3.888500      0.5068000     -8.0799997E-02
 C    1.628200      0.7779000      1.5500000E-02
 C   -2.586900       2.956200      6.8200000E-02
 C   -4.635700       1.679300     -2.9300001E-02
 C   -3.983800       2.905200      4.5200001E-02
 C   -2.460300      -4.248500     -0.3493000    
 C    2.441700       1.894100      8.8799998E-02
 C    3.825800       1.556400      9.3000002E-02
 C    4.026400      0.1953000      2.2800000E-02
 H   -3.198500      -1.914300      0.2472000    
 H  -0.9260000      -3.152800      0.6754000    
 H  -0.8495000      -3.049300      -1.097900    
 H   -4.437600     -0.4270000     -0.1519000    
 H   -2.101000       3.928400      0.1267000    
 H   -5.720400       1.638200     -5.0400000E-02
 H   -1.883200      -5.177100     -0.3937000    
 H   -3.091500      -4.192100      -1.242600    
 H   -4.559400       3.825500      8.4799998E-02
 H    2.071000       2.910700      0.1377000    
 H    4.624700       2.285700      0.1452000    
 H   -3.995800      -3.639000      0.6925000    


%chk=000147531-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147531

0 1
S 2.542785 -0.799209 0.040934
O -3.669273 -4.182610 -0.034604
O 6.414011 0.207221 -0.130889
O 5.339328 -1.819903 0.004135
N -2.316231 -1.847265 0.221660
N -0.394282 -0.522179 0.112131
N -0.470340 1.922500 -0.010677
N 5.343108 -0.521702 -0.061498
C -2.575371 0.604381 0.112146
C -1.749501 -0.604891 0.150742
C -1.860913 1.857688 0.031715
C 0.174840 0.734316 0.029726
C -1.556176 -3.102331 0.285535
C -3.999095 0.613630 0.151366
C 1.638235 0.758912 -0.015640
C -2.601274 3.079375 -0.006343
C -4.704464 1.824936 0.113155
C -3.999558 3.062934 0.033706
C -2.278511 -4.171142 -0.537786
C 2.484429 1.869989 -0.100496
C 3.869112 1.530057 -0.124324
C 4.071978 0.151460 -0.057491
H -3.330679 -1.960332 0.269751
H -1.469997 -3.442237 1.336521
H -0.539722 -2.920389 -0.098377
H -4.566414 -0.322680 0.213800
H -2.034584 4.013212 -0.066988
H -5.799024 1.821987 0.144810
H -1.788985 -5.153488 -0.384855
H -2.258327 -3.908942 -1.615077
H -4.559647 4.003760 0.004609
H 2.085375 2.884611 -0.142325
H 4.693166 2.242380 -0.187247
H -4.201297 -4.867252 -0.508626


