%chk=000184666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184666

0 1
O -1.229093 0.887360 -1.541414
O 1.910428 0.954028 1.740870
O -0.166876 -0.053061 -3.281302
O -0.193971 1.320886 2.436364
C -1.720490 -1.003011 -0.143994
C -0.867514 -1.503239 1.070741
C -0.621289 -3.046492 0.886621
C -1.341037 -3.547068 -0.408101
C -3.088382 -1.730020 -0.081482
C -2.858166 -3.246439 -0.253445
C -1.025037 -1.432959 -1.434403
C 0.856486 -3.491284 0.906490
C 0.403119 -0.742259 1.199247
C -0.831031 -2.746331 -1.590513
C -1.834536 0.494070 -0.311978
C 1.612026 -1.167769 0.779088
C 1.839789 -2.521651 0.223346
C 2.663167 -0.103935 1.032480
C -0.726807 -0.236060 -2.236231
C 0.553021 0.591866 1.846634
C -2.394442 1.429796 0.456036
C 3.240198 0.500780 -0.243863
C -2.399102 2.886087 0.117742
C 4.369002 1.490330 0.069156
C -3.754164 3.539299 0.426365
C 4.907800 2.145613 -1.209469
C -3.750768 5.024743 0.074061
C 6.036102 3.127431 -0.903134
H -1.469187 -1.348160 2.001599
H -1.118867 -3.552375 1.751300
H -1.177661 -4.635210 -0.544240
H -3.752703 -1.345065 -0.877619
H -3.598738 -1.508444 0.871399
H -3.265451 -3.801732 0.609237
H -3.401633 -3.617515 -1.141211
H 0.951721 -4.493092 0.445885
H 1.168828 -3.618163 1.964141
H -0.374069 -3.238857 -2.436541
H 1.679146 -2.510892 -0.877579
H 2.883239 -2.862836 0.371798
H 3.438346 -0.417802 1.762660
H -2.841471 1.158814 1.414848
H 2.432511 1.022319 -0.803279
H 3.602868 -0.304088 -0.912060
H -1.591511 3.384161 0.701173
H -2.131683 3.044552 -0.949590
H 3.988787 2.270335 0.762725
H 5.190114 0.981323 0.607859
H -4.000159 3.409832 1.498644
H -4.554493 3.021377 -0.137432
H 4.086976 2.673571 -1.735718
H 5.266926 1.369470 -1.912859
H -2.987634 5.571309 0.640622
H -4.718757 5.487142 0.295518
H -3.544334 5.186436 -0.990444
H 6.885093 2.632817 -0.418547
H 5.700685 3.930896 -0.236402
H 6.409181 3.598866 -1.819497


%chk=000184666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184666

0 1
O -1.178013 0.941485 -1.549917
O 1.979806 0.950030 1.755925
O -0.054735 -0.101051 -3.323955
O -0.203616 1.270430 2.533809
C -1.736790 -0.971468 -0.166041
C -0.873972 -1.486839 1.076304
C -0.649256 -3.050515 0.889625
C -1.331713 -3.533018 -0.449389
C -3.110186 -1.724092 -0.104218
C -2.868400 -3.253676 -0.305363
C -1.022310 -1.382899 -1.432826
C 0.833866 -3.510919 1.001630
C 0.428288 -0.737779 1.208503
C -0.807192 -2.713516 -1.610131
C -1.851696 0.538856 -0.331712
C 1.645556 -1.191129 0.790310
C 1.864881 -2.589951 0.287845
C 2.706685 -0.139926 1.031372
C -0.673089 -0.206846 -2.249243
C 0.603687 0.575400 1.889159
C -2.457892 1.462101 0.443658
C 3.345221 0.424783 -0.255187
C -2.485906 2.951646 0.204231
C 4.416124 1.501497 0.022701
C -3.903456 3.562619 0.360470
C 5.016860 2.078584 -1.278986
C -3.898780 5.096241 0.186484
C 6.094987 3.151151 -1.013404
H -1.485137 -1.294191 1.979503
H -1.201844 -3.560386 1.703480
H -1.153354 -4.614124 -0.585961
H -3.771981 -1.318606 -0.888034
H -3.592260 -1.515801 0.868882
H -3.252434 -3.831461 0.556222
H -3.394369 -3.616324 -1.205800
H 0.917893 -4.545126 0.615534
H 1.109674 -3.546269 2.073331
H -0.314279 -3.142837 -2.488273
H 1.743472 -2.640514 -0.810740
H 2.895565 -2.930728 0.505697
H 3.495761 -0.495871 1.725193
H -2.924359 1.097502 1.368267
H 2.540862 0.839948 -0.892920
H 3.798649 -0.419226 -0.815336
H -1.811605 3.432525 0.944816
H -2.080495 3.183703 -0.797022
H 3.962406 2.315725 0.619448
H 5.228841 1.067605 0.642952
H -4.304494 3.302268 1.361138
H -4.583687 3.101659 -0.382660
H 4.202554 2.514119 -1.892240
H 5.452586 1.254821 -1.881437
H -3.247826 5.577066 0.940915
H -4.914372 5.519230 0.294995
H -3.518419 5.379096 -0.813001
H 6.937004 2.733143 -0.429776
H 5.676303 3.998242 -0.438588
H 6.504889 3.553310 -1.957938


