%chk=000184458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184458

0 1
O 0.701513 2.101988 0.665432
O -0.411127 -0.570995 4.177105
O 5.539357 -1.679853 0.613265
O 3.145539 0.256401 -3.074810
O 5.325995 -1.372008 -2.024474
O -5.797911 1.488197 -0.795366
O -6.143579 -1.118512 -2.021473
C 0.544223 0.128337 2.031379
C -0.688863 0.166213 1.086774
C 1.514411 1.157793 1.394948
C -0.621442 1.552077 0.417240
C -2.032672 -0.094639 1.777679
C 0.251534 0.500968 3.491401
C 2.520528 0.492621 0.474769
C -3.117334 -0.374951 0.775243
C 2.433040 0.643270 -0.902358
C 3.550433 -0.274198 1.057052
C -4.003540 0.644110 0.400430
C -3.243285 -1.653016 0.211509
C 4.478178 -0.886890 0.219779
C 3.376110 0.017066 -1.748327
C 4.409696 -0.757232 -1.190353
C -5.016061 0.389711 -0.536581
C -4.247202 -1.919359 -0.723393
C -5.131959 -0.905556 -1.099393
C 5.820816 -1.767818 2.030939
C 4.068493 -0.319908 -4.038664
C -6.876817 1.342209 -1.755109
H 0.982507 -0.896044 2.009702
H -0.536158 -0.619193 0.303761
H 2.041515 1.802520 2.134563
H -1.317105 2.292236 0.844193
H -0.736957 1.514310 -0.677164
H -2.310547 0.757919 2.431659
H -1.926522 -0.946436 2.489149
H -0.470032 1.336345 3.580859
H 1.174365 0.757555 4.042033
H 1.649423 1.261672 -1.347137
H 3.613863 -0.374759 2.133175
H 0.160705 -1.361755 4.217135
H -3.928471 1.643881 0.826260
H -2.558228 -2.446551 0.501742
H -4.338971 -2.912738 -1.155953
H 6.025633 -1.826968 -1.478444
H 6.721677 -2.395344 2.041540
H 6.027090 -0.774186 2.439883
H 4.991973 -2.259981 2.547670
H 5.078143 0.067551 -3.866960
H 4.053751 -1.412443 -3.962906
H 3.649685 0.032173 -4.987309
H -6.129499 -2.051491 -2.347822
H -6.472460 1.069558 -2.735441
H -7.591045 0.589880 -1.404685
H -7.311511 2.347664 -1.758143


%chk=000184458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184458

0 1
O 0.611845 2.074910 0.605262
O -0.585574 0.066296 4.458512
O 5.627322 -1.645759 0.622039
O 2.745143 -0.493680 -3.102669
O 5.103144 -1.859910 -1.952434
O -6.242846 0.980396 -0.276826
O -6.021112 -1.053969 -2.327146
C 0.544200 0.264197 2.209566
C -0.639474 0.083949 1.209414
C 1.503761 1.185242 1.384964
C -0.758632 1.495798 0.592878
C -1.973716 -0.466824 1.774958
C 0.177788 0.937874 3.551799
C 2.461888 0.411654 0.477169
C -3.031902 -0.625783 0.688013
C 2.238605 0.317834 -0.908661
C 3.599653 -0.218127 1.050916
C -4.153830 0.233776 0.628486
C -2.904559 -1.627883 -0.307380
C 4.463280 -0.948549 0.217123
C 3.111202 -0.417670 -1.750730
C 4.229000 -1.074331 -1.181246
C -5.139284 0.117193 -0.379249
C -3.878273 -1.763393 -1.318088
C -5.002868 -0.908055 -1.358092
C 5.988972 -1.602683 2.037503
C 3.808326 -0.406713 -4.126073
C -6.713818 1.658801 -1.502547
H 1.033958 -0.707525 2.418259
H -0.288976 -0.606531 0.416206
H 2.090762 1.841558 2.059400
H -1.423996 2.149292 1.193512
H -1.117994 1.485180 -0.449768
H -2.340803 0.194947 2.578262
H -1.775752 -1.446206 2.252105
H -0.472930 1.814813 3.396411
H 1.107362 1.288288 4.051984
H 1.399603 0.847250 -1.366447
H 3.799605 -0.122528 2.123723
H -0.055610 -0.751453 4.636621
H -4.297653 1.021111 1.376534
H -2.048061 -2.312027 -0.291839
H -3.775998 -2.552798 -2.075659
H 5.800633 -2.216263 -1.338187
H 6.909262 -2.198584 2.125521
H 6.183225 -0.563231 2.364374
H 5.192467 -2.048930 2.663631
H 4.364897 0.544524 -4.021748
H 4.505935 -1.255623 -4.051562
H 3.270985 -0.421870 -5.086556
H -5.827975 -1.831107 -2.907929
H -5.906239 2.284899 -1.929582
H -7.060588 0.930503 -2.252645
H -7.543460 2.299120 -1.166082


