%chk=000170866.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170866

0 1
 S   0.3797000      -1.286600     -1.3100000E-02
 N   6.0999999E-03   1.248200      9.3000000E-03
 N    1.379000       1.073100      5.5999998E-03
 N    2.979000     -0.6787000     -1.0700000E-02
 C   -2.100700     -6.1900001E-02 -6.0000003E-04
 C   -2.779000       1.325500      1.0800000E-02
 C   -2.542200     -0.8585000       1.246400    
 C   -2.632300     -0.8193000      -1.237200    
 C  -0.5620000      0.1056000      1.9999999E-04
 C    1.707900     -0.2011000     -5.7000001E-03
 C    4.164400      0.1537000     -4.9999999E-03
 H   -3.871200       1.234700      2.6699999E-02
 H   -2.485500       1.904300      0.8946000    
 H   -2.507100       1.910700     -0.8756000    
 H   -2.188300      -1.895200       1.230000    
 H   -2.164500     -0.3931000       2.164700    
 H   -3.635500     -0.8941000       1.321600    
 H   -3.727600     -0.8651000      -1.236900    
 H   -2.317500     -0.3236000      -2.163000    
 H   -2.263900      -1.850300      -1.278500    
 H    3.135500      -1.683000     -1.9300001E-02
 H    4.192000      0.7951000     -0.8914000    
 H    5.059500     -0.4756000     -1.0900000E-02
 H    4.193600      0.7806000      0.8918000    


%chk=000170866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170866

0 1
S 0.396105 -1.511321 -0.030572
N 0.051495 1.148012 0.018863
N 1.445819 0.975282 0.008614
N 3.104564 -0.743433 -0.029493
C -2.179883 -0.059853 0.012704
C -2.782639 1.370600 0.026972
C -2.643786 -0.834382 1.281793
C -2.659519 -0.814921 -1.262131
C -0.664492 0.039307 0.004893
C 1.802151 -0.317864 -0.015361
C 4.212340 0.224175 -0.017481
H -3.886026 1.300077 0.033377
H -2.453707 1.930622 0.918445
H -2.465181 1.943516 -0.860534
H -2.242094 -1.864139 1.296461
H -2.309081 -0.320901 2.200545
H -3.747521 -0.894905 1.297950
H -3.763454 -0.873604 -1.266270
H -2.334774 -0.288395 -2.177056
H -2.259852 -1.845017 -1.296730
H 3.303957 -1.740234 -0.048085
H 4.160309 0.889975 -0.897515
H 5.166978 -0.326456 -0.030952
H 4.167689 0.859257 0.885360


