%chk=000181401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181401

0 1
O 2.981494 -0.239726 1.857045
O -1.361595 -4.024864 3.096998
N -3.273584 -0.570846 -0.775923
N 4.110598 0.434315 -0.772083
N 0.447956 0.919490 1.753303
N -0.279645 2.279946 -0.070740
C -1.419334 0.178158 0.363041
C -2.371595 0.491379 -0.671285
C -1.762678 -1.113371 0.900022
C 2.916315 1.075066 1.262396
C -2.923697 -1.569300 0.179762
C 2.801775 0.960660 -0.271922
C 1.679090 1.724205 1.917277
C -0.396154 1.121147 0.657437
C -2.271799 1.708615 -1.392834
C -1.204838 -1.919640 1.896946
C 4.859952 1.449604 -1.582930
C 3.928232 -0.848395 -1.532295
C -3.522732 -2.806407 0.449796
C -4.423106 -0.663461 -1.682255
C -1.206752 2.540940 -1.039747
C -3.225334 2.105156 -2.466745
C -1.823288 -3.147754 2.141301
C -2.964992 -3.603135 1.440962
C 5.350511 2.592527 -0.693823
C 5.246398 -1.622954 -1.571788
H 3.843408 1.619499 1.553727
H 2.531815 1.950271 -0.701206
H 1.952413 0.292702 -0.531119
H 1.855392 1.817173 3.015771
H 1.530561 2.756949 1.522274
H 0.569154 -0.056579 2.055738
H 5.740123 0.939289 -2.036973
H 4.256610 1.853744 -2.424980
H 3.161253 -1.461596 -1.006555
H 3.548270 -0.686719 -2.564230
H -0.332240 -1.595468 2.455065
H -4.400699 -3.137860 -0.099362
H -5.149223 0.145780 -1.481570
H -4.097964 -0.592152 -2.736356
H -4.947241 -1.626653 -1.554950
H -1.051076 3.496598 -1.558194
H -2.974721 3.084790 -2.897987
H -3.221014 1.385058 -3.296011
H -4.251399 2.185290 -2.082261
H -3.385230 -4.573515 1.696524
H 3.704122 -0.751784 1.426838
H 4.525517 3.209367 -0.321022
H 5.891842 2.206794 0.180197
H 6.032430 3.249490 -1.244332
H 5.683344 -1.711345 -0.568277
H 5.095163 -2.634237 -1.963454
H 5.995151 -1.128003 -2.200895
H -0.569558 -3.672340 3.571280


%chk=000181401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181401

0 1
O 2.969935 0.635020 1.802600
O 0.015315 -3.990272 2.150872
N -3.439366 -0.658029 -0.737529
N 4.136499 0.298467 -0.482428
N 0.502284 1.395399 0.939120
N -0.960259 2.732920 -0.332418
C -1.542873 0.394477 0.039028
C -2.759324 0.576107 -0.708342
C -1.483281 -0.992294 0.466399
C 2.897284 1.874116 1.015792
C -2.678237 -1.614984 -0.031788
C 3.249338 1.506314 -0.467280
C 1.477448 2.462160 1.149985
C -0.666864 1.514405 0.215729
C -3.085082 1.846406 -1.276501
C -0.556135 -1.776668 1.202436
C 5.577587 0.612777 -0.714772
C 3.624041 -0.789243 -1.375729
C -2.963532 -2.977689 0.192169
C -4.721486 -1.004630 -1.354183
C -2.122928 2.855015 -1.040812
C -4.326498 2.181746 -2.082482
C -0.850132 -3.140312 1.426347
C -2.036612 -3.741414 0.929580
C 6.181911 1.541804 0.353626
C 4.265668 -2.162528 -1.103377
H 3.625925 2.610200 1.415317
H 3.712887 2.368654 -0.986523
H 2.309455 1.260992 -0.993338
H 1.363631 2.909043 2.158641
H 1.295173 3.259020 0.407994
H 0.754157 0.514061 1.385863
H 6.133282 -0.341210 -0.707586
H 5.715719 1.064085 -1.727664
H 2.536085 -0.865840 -1.196947
H 3.760355 -0.517524 -2.449679
H 0.376993 -1.361023 1.602931
H -3.877354 -3.444726 -0.188396
H -5.444508 -1.342662 -0.587188
H -5.146275 -0.137778 -1.871609
H -4.589438 -1.820016 -2.090860
H -2.303627 3.855529 -1.456147
H -4.295765 3.244567 -2.381424
H -4.404832 1.587659 -3.014034
H -5.261648 2.036564 -1.507030
H -2.209496 -4.801387 1.136162
H 3.593536 0.071805 1.210640
H 5.728441 2.548510 0.332690
H 6.040013 1.121273 1.364847
H 7.265767 1.661428 0.174224
H 4.190850 -2.420235 -0.031407
H 3.735911 -2.940522 -1.682307
H 5.329666 -2.201866 -1.395634
H 0.787796 -3.481771 2.502019


