%chk=000205980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205980

0 1
O -2.869187 0.276367 -1.691820
N -0.272943 0.618222 0.250502
N 2.238789 1.789986 -0.220643
N 0.616159 -1.358074 0.961021
N -0.706742 -1.467201 1.010832
N -2.694360 -0.051901 0.579319
C 2.209689 0.544965 0.221020
C 3.487891 -0.205267 0.455888
C 0.941218 -0.112554 0.490220
C -0.216932 1.947715 -0.233199
C 3.685878 -1.306816 -0.598832
C -1.301293 -0.295435 0.588115
C 1.039818 2.472324 -0.439988
C -1.475422 2.685261 -0.493263
C 5.017465 -2.024765 -0.403781
C -3.427453 0.041678 -0.643159
C -4.909599 -0.084522 -0.464260
H 4.351330 0.496135 0.439169
H 3.472910 -0.654450 1.473174
H 2.851592 -2.037362 -0.536950
H 3.637949 -0.866533 -1.614494
H 1.174987 3.497202 -0.806719
H -2.177387 2.630953 0.352601
H -1.997187 2.266515 -1.379496
H -1.298477 3.750369 -0.701379
H 5.079145 -2.502245 0.581473
H 5.867884 -1.339312 -0.493427
H 5.151270 -2.812644 -1.154766
H -3.168044 -0.406194 1.420361
H -5.207209 -1.114269 -0.213516
H -5.427118 0.169961 -1.406133
H -5.312921 0.579189 0.312630


%chk=000205980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205980

0 1
O -2.873363 0.071551 -1.755715
N -0.279090 0.634756 0.245563
N 2.241105 1.792143 -0.262534
N 0.643575 -1.299713 1.056357
N -0.751841 -1.405672 1.103054
N -2.685763 -0.038577 0.569112
C 2.195860 0.541819 0.234402
C 3.472915 -0.225170 0.465856
C 0.928680 -0.073978 0.522009
C -0.234318 1.948499 -0.259658
C 3.724717 -1.301788 -0.631533
C -1.293981 -0.256590 0.616372
C 1.040874 2.459605 -0.484620
C -1.495913 2.723000 -0.519359
C 5.048267 -2.057152 -0.392689
C -3.429911 -0.019667 -0.628083
C -4.937862 -0.115657 -0.442860
H 4.306797 0.498577 0.476577
H 3.427795 -0.733662 1.447870
H 2.879835 -2.015412 -0.634845
H 3.744555 -0.808370 -1.622355
H 1.133744 3.478481 -0.870877
H -2.128816 2.795590 0.383570
H -2.091529 2.247357 -1.317713
H -1.233871 3.744007 -0.839901
H 5.034624 -2.582183 0.580730
H 5.910389 -1.363868 -0.392433
H 5.221230 -2.812168 -1.181067
H -3.188230 -0.242958 1.436576
H -5.265584 -1.135956 -0.712837
H -5.433601 0.582465 -1.136132
H -5.269588 0.097989 0.587665


