%chk=000171785.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171785

0 1
 S    2.306000      -1.988400      1.9999999E-04
 N    1.517200      0.4904000      3.9999999E-04
 N    3.811100      0.3005000     -3.0000001E-04
 C   0.3234000     -0.2016000      5.0000002E-04
 C    1.890900       1.873500      9.9999997E-05
 C    2.646400     -0.2762000      9.9999997E-05
 C   0.5456000      -1.606400      1.9999999E-04
 C   -1.000600      0.2858000      3.9999999E-04
 C    3.438100       1.758600     -1.0000000E-03
 C   -2.060100     -0.6678000       0.000000    
 C  -0.4807000      -2.530600     -1.9999999E-04
 C   -1.785000      -2.050300     -3.0000001E-04
 C   -1.356400       1.654400      6.9999998E-04
 C   -3.395200     -0.2322000     -5.0000002E-04
 C   -2.691200       2.066300      9.9999997E-05
 C   -3.709500       1.124200     -6.0000003E-04
 H    1.547300       2.397400      0.8976000    
 H    1.546100       2.397500     -0.8968000    
 H    3.862300       2.238300     -0.8896000    
 H    3.863600       2.239600      0.8863000    
 H  -0.2878000      -3.597900     -3.9999999E-04
 H   -2.600600      -2.772000     -6.0000003E-04
 H  -0.6040000       2.434900      1.3000000E-03
 H   -4.211500     -0.9524000     -8.9999998E-04
 H   -2.930600       3.125800      1.9999999E-04
 H   -4.747700       1.442500     -1.0000000E-03


%chk=000171785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171785

0 1
S 2.341438 -2.060429 -0.000041
N 1.529561 0.480182 -0.000125
N 3.863088 0.345868 -0.000202
C 0.324160 -0.236389 -0.000125
C 1.912480 1.912675 -0.000168
C 2.721842 -0.287595 -0.000121
C 0.550833 -1.633920 -0.000140
C -1.023531 0.272599 -0.000094
C 3.494894 1.810629 -0.000402
C -2.105843 -0.701847 -0.000170
C -0.504946 -2.575100 -0.000184
C -1.822390 -2.106749 -0.000220
C -1.358767 1.668674 0.000010
C -3.460263 -0.228152 -0.000171
C -2.689927 2.091438 0.000022
C -3.753354 1.135651 -0.000080
H 1.529023 2.426545 0.899988
H 1.528727 2.426611 -0.900150
H 3.929945 2.291706 -0.894201
H 3.930227 2.292068 0.893054
H -0.290712 -3.648350 -0.000182
H -2.657170 -2.815771 -0.000277
H -0.567570 2.421833 0.000104
H -4.269419 -0.968307 -0.000245
H -2.921417 3.162207 0.000114
H -4.793808 1.477822 -0.000093


