%chk=000179204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179204

0 1
O -5.565786 -0.690027 -0.295626
O -4.665712 1.142279 0.678628
C -2.578392 0.907453 -1.704429
C -1.983169 0.182892 -0.492823
C -3.404093 -0.164756 -0.954985
C -2.103088 0.555013 -3.092941
C -2.944223 2.361763 -1.547138
C -0.904910 -0.813549 -0.643506
C -4.546153 0.216285 -0.093912
C 0.397503 -0.532040 -0.413385
C -6.792823 -0.527026 0.481626
C 1.408643 -1.520608 -0.566417
C 0.866787 0.745948 -0.005685
C -6.580217 -1.037337 1.892088
C 2.284353 -2.344022 -0.690269
C 1.283661 1.824572 0.345220
C 3.336756 -3.316848 -0.833813
C 1.792488 3.104156 0.767230
C 4.569241 -2.971400 0.023555
C 3.279994 3.286883 0.410944
C 5.272665 -1.697026 -0.462309
C 4.184712 2.330790 1.199835
C 6.488549 -1.361116 0.397373
C 5.655463 2.515370 0.834940
H -1.898625 0.769378 0.440791
H -3.568790 -1.125485 -1.468240
H -1.827205 -0.502249 -3.192105
H -1.211570 1.140310 -3.357787
H -2.875542 0.764667 -3.843323
H -3.374064 2.583890 -0.555456
H -3.687251 2.674130 -2.290896
H -2.061580 3.002570 -1.665759
H -1.211009 -1.815257 -0.949106
H -7.494877 -1.146313 -0.105554
H -7.087631 0.537067 0.455464
H -7.519777 -1.069434 2.454724
H -6.150591 -2.047222 1.894073
H -5.883730 -0.388841 2.445487
H 2.957782 -4.326240 -0.549280
H 3.630440 -3.399519 -1.906502
H 1.647061 3.222271 1.866972
H 1.194746 3.920599 0.299007
H 4.263839 -2.851007 1.081846
H 5.274741 -3.823835 0.004809
H 3.424223 3.128662 -0.676005
H 3.574144 4.335336 0.608481
H 4.557049 -0.848828 -0.448352
H 5.579241 -1.813391 -1.519711
H 4.043584 2.486794 2.286842
H 3.877779 1.282277 1.004802
H 6.978119 -0.445684 0.045620
H 7.235134 -2.162652 0.376328
H 6.208848 -1.199091 1.444893
H 6.002992 3.531747 1.050714
H 6.290534 1.823484 1.400102
H 5.833335 2.325517 -0.229879


%chk=000179204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179204

0 1
O -5.120802 -0.509057 0.271799
O -4.127571 1.608430 0.224149
C -2.954923 0.592507 -2.572675
C -1.902348 0.353728 -1.470176
C -3.373175 -0.176129 -1.287373
C -2.905380 -0.237307 -3.856003
C -3.428530 2.028323 -2.789318
C -0.786809 -0.600857 -1.592014
C -4.201710 0.432440 -0.217939
C 0.444471 -0.439238 -0.981038
C -5.998100 -0.053946 1.393959
C 1.492861 -1.412745 -1.149408
C 0.750589 0.696349 -0.148870
C -5.293241 -0.237759 2.741365
C 2.429883 -2.214237 -1.257718
C 1.053398 1.651867 0.577052
C 3.544078 -3.173221 -1.366391
C 1.421353 2.793293 1.433468
C 4.610304 -3.009495 -0.243670
C 2.907328 3.232000 1.276473
C 5.332536 -1.644501 -0.276294
C 3.916828 2.138822 1.690120
C 6.383170 -1.503575 0.845872
C 5.383095 2.589001 1.516378
H -1.691690 1.234748 -0.852036
H -3.526683 -1.252408 -1.405455
H -2.649671 -1.295685 -3.674069
H -2.154328 0.178234 -4.553843
H -3.889420 -0.213735 -4.359617
H -3.495242 2.586001 -1.841308
H -4.427961 2.039538 -3.264971
H -2.726140 2.555181 -3.462055
H -0.931570 -1.500546 -2.203048
H -6.889731 -0.694861 1.301667
H -6.267303 1.003547 1.224419
H -5.984716 0.023268 3.564282
H -4.972469 -1.284936 2.878069
H -4.410000 0.418787 2.811487
H 3.139783 -4.205210 -1.342073
H 4.037547 -3.054762 -2.353346
H 1.233200 2.528811 2.494644
H 0.756650 3.649583 1.203082
H 4.122013 -3.145990 0.741040
H 5.354653 -3.824500 -0.351399
H 3.088939 3.524293 0.223605
H 3.067103 4.137984 1.895712
H 4.580693 -0.835846 -0.189944
H 5.821063 -1.514534 -1.263777
H 3.735280 1.856538 2.747485
H 3.730555 1.228853 1.086709
H 6.891773 -0.522990 0.798475
H 7.157757 -2.290330 0.769787
H 5.911219 -1.591838 1.842780
H 5.602872 3.484496 2.128433
H 6.086145 1.791471 1.819937
H 5.595970 2.843443 0.460778


