%chk=000183490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183490

0 1
O 3.172233 -0.391041 -0.515696
O 0.374766 1.482021 -1.714380
O 2.037742 2.238108 -0.385603
O -3.018349 -0.080015 1.710112
C 1.253747 -1.121103 -1.704616
C 2.264156 0.044943 -1.525649
C 1.959422 -2.297594 -2.382497
C 0.652361 -1.528821 -0.360907
C 4.386451 0.407380 -0.379294
C 5.229918 -0.422991 0.585780
C 1.599804 1.358355 -1.083949
C 6.541876 0.292442 0.927341
C -0.387959 2.701352 -1.490362
C 7.394128 -0.532400 1.888553
C -1.486091 2.479297 -0.486164
C -1.705889 1.225793 0.090163
C -2.302436 3.570444 -0.143937
C -2.754419 1.093283 1.005856
C -3.338099 3.407858 0.782017
C -3.583647 2.165238 1.367837
C -2.745246 -1.317853 1.122108
C -2.979334 -1.591172 -0.229968
C -2.317737 -2.297354 2.030620
C -2.772850 -2.898242 -0.679795
C -2.124181 -3.594230 1.553776
C -2.346038 -3.895514 0.203698
H 0.433943 -0.747264 -2.373427
H 2.809843 0.255374 -2.476747
H 2.829259 -2.621620 -1.793372
H 1.290053 -3.159778 -2.476345
H 2.313414 -2.043827 -3.386128
H 1.438737 -1.735194 0.379324
H 0.031910 -2.427912 -0.446968
H 0.014991 -0.729698 0.052722
H 4.103025 1.393201 0.037002
H 4.859126 0.528948 -1.366166
H 4.643107 -0.622214 1.506159
H 5.428719 -1.420507 0.147423
H 7.114860 0.496922 0.001592
H 6.325171 1.282418 1.376914
H 0.299476 3.513105 -1.170927
H -0.791603 2.910987 -2.500896
H 7.658188 -1.506757 1.461762
H 8.329395 -0.015446 2.131540
H 6.869357 -0.720765 2.832696
H -1.054707 0.377631 -0.159739
H -2.129120 4.546804 -0.589693
H -3.963838 4.260515 1.048230
H -4.383307 2.016865 2.089324
H -3.320606 -0.811710 -0.907223
H -2.151902 -2.036945 3.073722
H -2.950422 -3.139408 -1.727791
H -1.794604 -4.376140 2.238070
H -2.189893 -4.909767 -0.156901


%chk=000183490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183490

0 1
O 3.572758 -0.539543 -0.174048
O 0.590671 1.612247 -0.386648
O 2.242872 1.556060 1.267993
O -4.263993 -0.082834 0.663777
C 1.287747 -1.286957 -0.566852
C 2.273764 -0.080448 -0.628483
C 1.748860 -2.392701 -1.542638
C 1.143595 -1.831544 0.872950
C 4.676552 0.413343 -0.401582
C 5.982093 -0.311923 -0.064904
C 1.751960 1.101014 0.213689
C 7.220567 0.598835 -0.234949
C -0.113679 2.721185 0.330346
C 8.539715 -0.133503 0.092795
C -1.606714 2.533229 0.177321
C -2.195440 1.275408 0.452476
C -2.426895 3.626038 -0.193906
C -3.594074 1.123323 0.342287
C -3.829729 3.464404 -0.272958
C -4.422789 2.212789 -0.009653
C -3.663396 -1.345056 0.414238
C -2.879168 -1.605785 -0.734021
C -3.979080 -2.371656 1.330690
C -2.395740 -2.915775 -0.948729
C -3.493284 -3.677138 1.099043
C -2.696324 -3.954771 -0.036839
H 0.307170 -0.898004 -0.904916
H 2.330537 0.274651 -1.683855
H 2.748881 -2.762163 -1.257693
H 1.041998 -3.242541 -1.517756
H 1.801625 -2.020234 -2.583479
H 2.116028 -2.198952 1.243448
H 0.416261 -2.663135 0.892464
H 0.787982 -1.055575 1.576614
H 4.540302 1.301683 0.247585
H 4.669973 0.742068 -1.466408
H 5.923694 -0.675842 0.978996
H 6.077456 -1.205232 -0.712443
H 7.259757 0.980885 -1.275900
H 7.117061 1.486999 0.420831
H 0.212994 2.694767 1.387204
H 0.220884 3.672304 -0.119088
H 8.680579 -1.009063 -0.568454
H 9.413481 0.531589 -0.034179
H 8.540342 -0.498473 1.136983
H -1.566638 0.427726 0.742653
H -1.973803 4.598630 -0.418009
H -4.462522 4.313066 -0.553649
H -5.504103 2.060754 -0.073236
H -2.660119 -0.806677 -1.449168
H -4.597352 -2.134483 2.201613
H -1.790816 -3.123266 -1.838917
H -3.735784 -4.475733 1.808630
H -2.319818 -4.967988 -0.212066


