%chk=000163653.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163653

0 1
 S  -0.4954000      -2.434600     -0.2245000    
 O   -2.542600       1.663300      0.1916000    
 N   -4.519800      0.4679000      6.5800004E-02
 N   -2.452800     -0.6532000     -4.9100000E-02
 N    1.112400      -2.014500     -0.1941000    
 C    1.190500     -0.6915000     -7.1800001E-02
 C    2.496200     -7.6499999E-02 -2.1700000E-02
 C   -1.067600     -0.8445000     -7.4000001E-02
 C  -3.5300002E-02  2.9899999E-02  1.6000000E-03
 C    2.669100       1.214400     -0.5095000    
 C    3.569400     -0.7804000      0.5139000    
 C   -3.108300      0.5749000      6.8300001E-02
 C    3.930200       1.808400     -0.4615000    
 C    4.830500     -0.1863000      0.5620000    
 C   -5.385700       1.631500      0.2081000    
 C   -5.201600     -0.8166000     -7.9599999E-02
 C    5.010900       1.108100      7.4400000E-02
 H  -0.1296000       1.101500      0.1124000    
 H   -2.981900      -1.514100     -0.1269000    
 H    1.853300       1.782400     -0.9482000    
 H    3.459800      -1.786200      0.9114000    
 H   -6.011200       1.499100       1.095500    
 H   -6.016100       1.712800     -0.6821000    
 H   -4.801900       2.548800      0.3166000    
 H   -6.286400     -0.6745000     -9.5899999E-02
 H   -4.940800      -1.460700      0.7654000    
 H   -4.894200      -1.288400      -1.017600    
 H    4.071900       2.814800     -0.8443000    
 H    5.671900     -0.7304000      0.9811000    
 H    5.993000       1.570400      0.1115000    


%chk=000163653-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163653

0 1
S -0.498549 -2.716733 0.166393
O -2.450651 1.550229 -0.048256
N -4.526240 0.453783 -0.030940
N -2.522661 -0.799971 0.053307
N 1.215931 -2.144670 0.153437
C 1.201965 -0.784329 0.086658
C 2.512670 -0.083144 0.063165
C -1.141724 -1.018089 0.076700
C -0.083296 -0.121906 0.042773
C 2.587279 1.330715 -0.059179
C 3.720487 -0.827977 0.161402
C -3.131290 0.481551 -0.011565
C 3.839216 1.982540 -0.082182
C 4.968171 -0.174523 0.138195
C -5.247500 1.736982 -0.090445
C -5.314031 -0.788665 0.000921
C 5.034795 1.234759 0.016317
H -0.245790 0.951589 -0.006170
H -3.123459 -1.623659 0.088505
H 1.672413 1.926617 -0.139358
H 3.656102 -1.916525 0.254718
H -5.898704 1.864074 0.795111
H -5.867821 1.798286 -1.004746
H -4.504052 2.547854 -0.107619
H -6.383817 -0.531089 -0.035655
H -5.151305 -1.366567 0.933882
H -5.106404 -1.439492 -0.872910
H 3.880278 3.073391 -0.177463
H 5.890178 -0.761706 0.215323
H 6.005707 1.742475 -0.001520


