%chk=000228559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228559

0 1
O -4.047513 -0.894533 0.501527
O 0.472755 -2.210491 -0.137359
O -0.853625 2.379016 1.036941
O 1.736686 1.602200 -0.503017
O 7.881495 0.136046 -0.000155
C -4.565466 -2.274490 0.199508
C -2.734982 -0.603947 0.429454
C -1.752941 -1.603707 0.177830
C -2.382012 0.734124 0.679848
C -0.424244 -1.176900 0.104367
C -0.004068 0.164424 0.245571
C -3.482712 -3.297289 0.036017
C -1.014288 1.096792 0.631956
C -2.180569 -2.982148 0.017810
C -5.354509 -2.050884 -1.086761
C -5.444219 -2.542634 1.416710
C -3.443261 1.759319 0.978237
C 1.372294 0.498248 -0.141477
C 2.315065 -0.663573 -0.134549
C -3.802131 2.529401 -0.259552
C 1.823938 -1.916357 -0.163134
C 3.762856 -0.412863 -0.122155
C -4.963188 2.436969 -0.924760
C 0.448669 2.935063 1.355417
C 4.326698 0.557710 -0.965716
C 4.596892 -1.149843 0.744558
C -6.082550 1.528534 -0.518035
C -5.219954 3.260462 -2.152175
C 5.704630 0.786803 -0.971406
C 5.969268 -0.937589 0.756607
C 6.512354 0.033661 -0.110942
C 8.555803 1.113130 -0.829137
H -3.837672 -4.318348 -0.077646
H -1.395899 -3.730349 -0.112235
H -4.702018 -2.068137 -1.969160
H -5.836023 -1.054324 -1.069711
H -6.133801 -2.804490 -1.229691
H -6.057851 -3.439396 1.283794
H -4.836550 -2.681935 2.320771
H -6.116547 -1.696744 1.612819
H -4.328433 1.258949 1.425590
H -3.071800 2.466819 1.754272
H -3.006881 3.191312 -0.604014
H 2.356383 -2.861633 -0.227294
H 0.942174 3.241435 0.419555
H 1.060520 2.226411 1.916300
H 0.167838 3.801614 1.966298
H 3.674822 1.151264 -1.615633
H 4.162879 -1.886002 1.420758
H -5.739684 0.474169 -0.501083
H -6.440370 1.765849 0.492440
H -6.944226 1.585889 -1.190991
H -4.377127 3.915671 -2.406574
H -5.403601 2.618950 -3.024251
H -6.101122 3.901871 -2.020499
H 6.121922 1.539957 -1.631064
H 6.629419 -1.494382 1.417105
H 9.603195 0.975879 -0.530280
H 8.208144 2.121637 -0.587352
H 8.415439 0.875212 -1.887350


%chk=000228559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228559

0 1
O -4.099310 -0.976794 0.750584
O 0.526660 -2.230079 0.247947
O -0.861257 2.496170 0.901651
O 1.743686 1.705973 -0.227726
O 8.039805 -0.017012 -0.442561
C -4.549284 -2.325426 0.210004
C -2.754626 -0.624456 0.629073
C -1.758970 -1.632433 0.498740
C -2.430339 0.747632 0.774521
C -0.419517 -1.198908 0.409824
C -0.013687 0.169718 0.451949
C -3.478125 -3.376409 0.461723
C -1.062550 1.130051 0.713400
C -2.160864 -3.037851 0.542742
C -4.799694 -2.140721 -1.304986
C -5.847502 -2.613771 0.979262
C -3.520818 1.787674 0.998452
C 1.381260 0.518023 0.077270
C 2.351709 -0.616977 0.042078
C -3.864978 2.533250 -0.285631
C 1.866518 -1.901987 0.109386
C 3.817006 -0.401675 -0.093811
C -5.051924 2.529688 -0.957535
C 0.243454 2.993279 1.749434
C 4.359501 0.627934 -0.907599
C 4.730494 -1.257932 0.591294
C -6.282432 1.742110 -0.539523
C -5.225783 3.358433 -2.221899
C 5.754317 0.790745 -1.051790
C 6.119782 -1.109911 0.453228
C 6.639946 -0.083137 -0.374618
C 8.626628 1.039404 -1.270938
H -3.808911 -4.418884 0.529389
H -1.383047 -3.796584 0.664376
H -3.865214 -1.860637 -1.821128
H -5.551250 -1.349128 -1.473916
H -5.167551 -3.084070 -1.748203
H -6.297443 -3.556823 0.620323
H -5.647088 -2.705427 2.059842
H -6.573532 -1.797547 0.822378
H -4.408268 1.297285 1.426738
H -3.145040 2.524114 1.733425
H -3.038560 3.136424 -0.688571
H 2.475238 -2.803205 0.015398
H 1.127361 3.187338 1.124668
H 0.492153 2.257692 2.536975
H -0.147326 3.918187 2.203399
H 3.680322 1.308573 -1.424125
H 4.346434 -2.030103 1.268485
H -6.074011 1.026637 0.271694
H -7.091984 2.422687 -0.206676
H -6.685262 1.173089 -1.401717
H -4.315940 3.935515 -2.461427
H -5.463282 2.712949 -3.091657
H -6.068356 4.071665 -2.118657
H 6.131474 1.594909 -1.690651
H 6.819165 -1.760971 0.986383
H 9.714479 0.907487 -1.176712
H 8.338926 2.044261 -0.905277
H 8.327711 0.931763 -2.331804


