%chk=000186150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186150

0 1
O 0.254246 -1.653519 0.110625
O 4.057321 -0.437820 -1.371469
O 5.263285 0.382537 0.319846
O 0.090386 -0.801518 -1.969235
O -1.906826 -2.511847 0.868393
O -5.432472 0.642413 1.105192
C 2.785717 0.544239 0.369138
C 2.807124 2.009406 0.842237
C 2.408414 -0.446790 1.483808
C 1.519800 2.480156 1.529655
C 0.226498 2.235480 0.742060
C 2.427129 -1.916585 1.048488
C 0.205114 2.938059 -0.619700
C 1.595286 -2.191013 -0.209062
C -1.187431 2.942040 -1.266085
C -1.610933 1.580049 -1.837572
C 4.166457 0.197119 -0.151376
C -2.292729 0.697818 -0.831342
C 1.400976 -3.670230 -0.495049
C -1.731718 -0.529325 -0.398059
C -0.417935 -0.983668 -0.879661
C -3.539103 1.104637 -0.332752
C -2.466356 -1.321694 0.519056
C -4.219421 0.291617 0.585681
C -3.710525 -0.934039 1.029469
H 2.044356 0.444011 -0.472639
H 3.016469 2.661588 -0.030427
H 3.659796 2.159584 1.539329
H 1.383297 -0.198432 1.838306
H 3.079942 -0.310738 2.354540
H 1.619262 3.563560 1.747258
H 1.429994 1.989044 2.520101
H -0.632002 2.578690 1.353742
H 0.068629 1.146872 0.604999
H 3.466041 -2.256693 0.865806
H 2.047871 -2.535499 1.887975
H 0.935374 2.458647 -1.301641
H 0.549152 3.985043 -0.503675
H 1.994428 -1.644233 -1.098925
H -1.189631 3.681829 -2.092893
H -1.938880 3.306995 -0.539073
H -0.726187 1.076517 -2.299619
H -2.301566 1.734660 -2.695605
H 0.789125 -4.149001 0.281019
H 0.874434 -3.818474 -1.447830
H 2.355125 -4.203456 -0.555956
H -3.970986 2.042787 -0.664081
H 4.935281 -0.683077 -1.763379
H -4.272124 -1.537106 1.733277
H -2.474955 -3.024923 1.504859
H -5.758347 1.512986 0.757546


%chk=000186150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186150

0 1
O 0.265019 -1.600587 0.191005
O 4.246011 0.855187 -1.551214
O 5.185429 -0.314392 0.216079
O -0.238477 -1.386530 -2.075118
O -2.232527 -2.670784 0.926808
O -5.503311 0.881039 1.123880
C 2.852574 0.534986 0.398551
C 2.844131 2.012204 0.921274
C 2.569891 -0.501660 1.509784
C 1.515607 2.452518 1.590585
C 0.233445 2.217214 0.752840
C 2.517802 -1.975687 1.037154
C 0.245000 2.917326 -0.625413
C 1.585706 -2.244721 -0.156438
C -1.096641 2.860984 -1.399273
C -1.544472 1.440652 -1.867801
C 4.196509 0.283717 -0.265857
C -2.307347 0.606012 -0.838172
C 1.356409 -3.736324 -0.429150
C -1.857790 -0.667587 -0.376311
C -0.572754 -1.258547 -0.869007
C -3.523548 1.130831 -0.334086
C -2.660416 -1.387768 0.557525
C -4.290504 0.405212 0.601870
C -3.870505 -0.862392 1.051139
H 2.081325 0.462719 -0.390334
H 3.068858 2.678697 0.067294
H 3.669063 2.137349 1.651348
H 1.600475 -0.251282 1.973180
H 3.348539 -0.411810 2.291437
H 1.604437 3.534827 1.819750
H 1.402842 1.941167 2.566609
H -0.635961 2.586208 1.334794
H 0.068304 1.131394 0.627373
H 3.532238 -2.312945 0.750111
H 2.196635 -2.606676 1.888349
H 1.041220 2.485162 -1.264781
H 0.514907 3.984414 -0.476680
H 1.949419 -1.749364 -1.077460
H -0.994075 3.493904 -2.303440
H -1.893411 3.325864 -0.783487
H -0.670112 0.889167 -2.249393
H -2.217804 1.569501 -2.739170
H 0.883209 -4.218512 0.443998
H 0.708701 -3.880361 -1.309674
H 2.323830 -4.234868 -0.624717
H -3.871942 2.109795 -0.688047
H 5.150531 0.704654 -1.939995
H -4.497537 -1.415405 1.758994
H -2.878228 -3.083903 1.552624
H -5.724504 1.768105 0.745965


