%chk=000233527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233527

0 1
O -4.596226 -0.895446 -0.208483
O 2.849559 2.807675 -0.157831
O 1.358113 -3.822066 0.287494
O -5.638247 1.074333 -0.546270
O 4.820717 1.747739 0.103392
O 3.107301 -3.804911 -1.153646
N -1.637691 2.575767 -0.759808
N 1.027547 -1.058352 -0.421044
C -0.970151 1.339960 -0.442582
C -1.984283 0.367839 -0.262642
C -3.245872 1.013543 -0.483657
C -2.997549 2.375948 -0.796758
C 0.449738 1.359563 -0.347975
C 1.343904 0.333140 -0.313099
C 2.819327 0.450446 -0.186675
C 3.340578 -0.824538 -0.218698
C -1.802663 -1.035449 0.117033
C 2.169019 -1.727357 -0.368941
C -3.951256 3.451047 -1.118836
C -4.588736 0.467214 -0.420417
C 4.730207 -1.282058 -0.131430
C 3.621148 1.660822 -0.056935
C 2.294516 -3.199682 -0.491837
C -5.898529 -1.553554 -0.095416
C 3.532335 4.093094 -0.003532
C 1.343722 -5.288165 0.295135
C -6.457558 -1.344315 1.296735
C 3.727765 4.389950 1.468339
C 2.466013 -5.810387 1.166384
H -1.154568 3.435568 -0.955420
H 0.893956 2.379334 -0.305038
H -2.742209 -1.524529 0.426543
H -1.071612 -1.159951 0.934615
H -1.392436 -1.628061 -0.724565
H -5.000224 3.086941 -0.999589
H -3.865258 3.792324 -2.161413
H -3.851674 4.326412 -0.461942
H 4.949743 -2.069259 -0.876292
H 5.451719 -0.456239 -0.285931
H 4.956378 -1.711309 0.858554
H -6.564636 -1.160322 -0.884378
H -5.617134 -2.601973 -0.301615
H 4.487348 4.055340 -0.559515
H 2.816570 4.772946 -0.497609
H 1.409339 -5.646357 -0.747482
H 0.338219 -5.475477 0.715480
H -7.353559 -1.952007 1.465826
H -6.736133 -0.291260 1.454893
H -5.722797 -1.603277 2.069505
H 4.094804 5.410440 1.628020
H 4.463237 3.702850 1.915175
H 2.795280 4.273383 2.034319
H 2.381386 -6.892119 1.324003
H 2.469404 -5.327677 2.152355
H 3.447907 -5.619923 0.707003


%chk=000233527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233527

0 1
O -4.695725 -1.017576 -0.318522
O 2.870839 2.937905 -0.314912
O 1.354694 -3.820787 -0.098177
O -5.618827 1.119821 -0.374077
O 4.967256 1.928060 -0.271683
O 3.689823 -3.782881 -0.025611
N -1.607840 2.452306 -0.376179
N 1.239386 -1.083535 -0.187186
C -0.922037 1.201579 -0.316661
C -1.946133 0.188524 -0.295441
C -3.210962 0.879085 -0.342940
C -2.962886 2.289467 -0.392002
C 0.499320 1.271902 -0.295092
C 1.504008 0.297567 -0.239649
C 2.966890 0.530208 -0.228885
C 3.570351 -0.745704 -0.168921
C -1.724005 -1.291750 -0.234261
C 2.451032 -1.694736 -0.146035
C -3.903638 3.453378 -0.451648
C -4.597432 0.376420 -0.344152
C 5.026610 -1.106937 -0.134920
C 3.714527 1.795929 -0.269429
C 2.589669 -3.167704 -0.081747
C -6.081683 -1.582056 -0.294652
C 3.570019 4.257573 -0.335492
C 1.406785 -5.311159 -0.009914
C -6.617268 -1.649718 1.138223
C 3.908860 4.722862 1.084085
C 1.482812 -5.766727 1.451053
H -1.131490 3.354058 -0.404785
H 0.908700 2.291298 -0.329148
H -2.680317 -1.828419 -0.232693
H -1.123995 -1.565078 0.651594
H -1.091746 -1.631363 -1.073547
H -4.585263 3.450070 0.416205
H -4.557479 3.383494 -1.337910
H -3.354809 4.411961 -0.479631
H 5.280275 -1.765397 -0.986333
H 5.657110 -0.207690 -0.159179
H 5.254754 -1.704601 0.766761
H -6.726887 -0.957096 -0.936169
H -5.955992 -2.582966 -0.737910
H 4.481615 4.161122 -0.950143
H 2.848670 4.928657 -0.831322
H 2.277170 -5.672439 -0.585965
H 0.469129 -5.629077 -0.493474
H -7.602088 -2.153041 1.143698
H -6.745574 -0.637350 1.555779
H -5.933308 -2.222690 1.787790
H 4.353999 5.734917 1.050217
H 4.639347 4.041208 1.549941
H 3.004649 4.763950 1.716435
H 1.424355 -6.870118 1.502938
H 0.646065 -5.347402 2.036065
H 2.434462 -5.449722 1.909114


