%chk=000184017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184017

0 1
S -4.125146 1.203723 -0.074962
N -2.417801 -0.951044 -0.059121
N -1.365836 1.086476 -0.045862
N 1.707655 1.345618 -0.009020
N 3.126486 -1.118063 0.037228
C -1.040255 -1.210485 -0.027429
C -0.401233 0.074803 -0.026949
C 1.031483 0.141302 -0.006842
C 1.742565 -1.103260 0.016017
C -0.312935 -2.435270 -0.002851
C -2.557122 0.451640 -0.061498
C 1.050370 -2.372054 0.018007
C -3.500496 -1.937234 -0.050754
C 3.045620 1.309937 0.011767
C 3.759597 0.051778 0.035359
C 3.796265 2.596994 0.010251
C -3.729829 2.930445 -0.406860
H -0.846094 -3.382520 -0.000197
H 1.666291 -3.274550 0.037279
H -4.272419 -1.677079 -0.801689
H -3.120966 -2.945167 -0.293103
H -3.987005 -1.980192 0.942944
H 4.854795 0.037757 0.052334
H 4.421046 2.698311 0.909168
H 4.449781 2.679755 -0.869870
H 3.114854 3.466314 -0.009623
H -4.638857 3.525760 -0.259608
H -3.363989 3.073613 -1.432294
H -2.945425 3.305193 0.271276


%chk=000184017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184017

0 1
S -4.191673 1.215334 -0.169558
N -2.435267 -0.970116 -0.074688
N -1.391858 1.075108 -0.106235
N 1.662189 1.352406 -0.042029
N 3.123415 -1.123988 0.091983
C -1.054964 -1.228019 -0.019981
C -0.425210 0.053902 -0.048025
C 1.003417 0.134327 -0.013726
C 1.733911 -1.123221 0.053110
C -0.342372 -2.455660 0.046739
C -2.568289 0.427892 -0.115790
C 1.051951 -2.386779 0.081981
C -3.502884 -1.973534 -0.066328
C 3.014770 1.325175 -0.003944
C 3.732397 0.076044 0.063574
C 3.755383 2.642131 -0.034048
C -3.609575 2.993093 -0.395216
H -0.858668 -3.420736 0.073109
H 1.670486 -3.287524 0.134306
H -4.451439 -1.501299 -0.368382
H -3.273433 -2.776764 -0.787842
H -3.630806 -2.415748 0.938225
H 4.828636 0.073847 0.094393
H 4.372627 2.776274 0.874312
H 4.437604 2.699490 -0.903087
H 3.030363 3.468050 -0.095542
H -4.525340 3.603672 -0.391817
H -3.070891 3.080817 -1.348400
H -2.943080 3.258325 0.436005


