%chk=000179681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179681

0 1
O -5.957144 -1.227610 -0.000068
C -0.616065 0.567050 -0.000001
C 1.811515 0.221067 0.000077
C -0.406360 1.978901 0.000057
C 2.009366 1.632886 0.000185
C -1.982996 0.051627 -0.000064
C 0.501076 -0.280308 0.000012
C 2.979711 -0.659496 0.000041
C 0.897916 2.488609 0.000171
C -3.073715 0.961279 -0.000054
C 4.277044 -0.094369 0.000196
C -1.552039 2.872995 0.000000
C 3.358742 2.168239 0.000325
C -2.816224 2.392731 -0.000042
C 4.435815 1.348373 0.000351
C -2.257409 -1.336033 -0.000120
C 2.852494 -2.071511 -0.000155
C -4.396750 0.481661 -0.000064
C 5.413748 -0.941314 0.000178
C -4.620468 -0.896729 -0.000094
C -3.554637 -1.822239 -0.000135
C 3.971811 -2.885318 -0.000190
C 5.263313 -2.316662 -0.000016
C -6.310444 -2.631635 -0.000162
H 0.348191 -1.362681 -0.000067
H 1.053024 3.567723 0.000227
H -1.353430 3.945270 -0.000021
H 3.471231 3.252235 0.000412
H -3.678855 3.058828 -0.000085
H 5.450658 1.744953 0.000481
H -1.422941 -2.042070 -0.000143
H 1.856208 -2.515690 -0.000286
H -5.242496 1.165410 -0.000043
H 6.407933 -0.496834 0.000315
H -3.739483 -2.890848 -0.000176
H 3.864813 -3.968698 -0.000357
H 6.135538 -2.968198 -0.000037
H -5.939758 -3.117511 0.906693
H -5.939713 -3.117413 -0.907050
H -7.407620 -2.584972 -0.000189


%chk=000179681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179681

0 1
O -6.077877 -1.219660 -0.000162
C -0.623531 0.558077 0.000024
C 1.841511 0.205240 0.000065
C -0.408452 1.992667 0.000100
C 2.040957 1.641660 0.000151
C -2.001805 0.048014 -0.000030
C 0.512788 -0.287558 0.000008
C 3.020002 -0.674800 0.000045
C 0.912572 2.495041 0.000163
C -3.103437 0.982528 -0.000012
C 4.337019 -0.086084 0.000129
C -1.545473 2.891325 0.000113
C 3.383345 2.184466 0.000227
C -2.836172 2.409358 0.000058
C 4.485355 1.355707 0.000221
C -2.320082 -1.339924 -0.000098
C 2.925678 -2.099650 -0.000059
C -4.442535 0.509503 -0.000062
C 5.490646 -0.927904 0.000116
C -4.719372 -0.868095 -0.000126
C -3.644395 -1.804544 -0.000144
C 4.070653 -2.910524 -0.000072
C 5.367060 -2.323138 0.000018
C -6.413298 -2.645770 -0.000258
H 0.358324 -1.369349 -0.000047
H 1.067946 3.581431 0.000224
H -1.352856 3.970768 0.000168
H 3.502491 3.274405 0.000291
H -3.690377 3.096411 0.000068
H 5.499508 1.772399 0.000283
H -1.518796 -2.085283 -0.000113
H 1.944051 -2.583386 -0.000136
H -5.279189 1.215957 -0.000048
H 6.482947 -0.460905 0.000183
H -3.836284 -2.881435 -0.000194
H 3.966640 -4.001206 -0.000154
H 6.258298 -2.960035 0.000009
H -6.024872 -3.152068 0.905019
H -6.024818 -3.151959 -0.905573
H -7.512567 -2.679982 -0.000293


