%chk=000196045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196045

0 1
O -5.297766 -0.633454 -0.743812
O -4.861347 -1.023139 1.336923
N 1.011124 0.000020 -0.905043
N 0.069047 3.410323 0.321356
N -4.522263 -0.757359 0.192452
C 1.323942 1.361610 -1.449344
C -0.355664 -0.214467 -0.567861
C 0.187272 -0.667061 1.849651
C 2.110070 -0.828628 -0.511291
C 1.056744 -1.902739 1.604917
C -0.806585 -0.531640 0.739076
C 2.154042 -1.702254 0.598872
C 2.109816 2.235112 -0.457838
C 1.276646 2.641937 0.769091
C -1.302429 -0.071363 -1.613256
C -2.166978 -0.716802 0.976419
C 3.235744 -0.772981 -1.377462
C 3.308363 -2.485292 0.799095
C -3.088993 -0.571512 -0.072525
C -2.656814 -0.248621 -1.370787
C 4.362840 -1.551382 -1.151284
C 4.405345 -2.418293 -0.053414
C 0.380735 4.863318 0.177209
C -1.069138 3.213425 1.266981
H 1.902247 1.239950 -2.393142
H 0.371532 1.883085 -1.712285
H 0.817957 0.256386 1.904741
H -0.312634 -0.744334 2.835260
H 0.417274 -2.751505 1.271444
H 1.490031 -2.230720 2.574548
H 2.460218 3.140159 -0.993258
H 3.023570 1.709190 -0.116034
H 1.914244 3.206513 1.481691
H 0.957123 1.714544 1.309608
H -0.960587 0.164251 -2.622236
H -2.532554 -0.965689 1.979299
H 3.211536 -0.121202 -2.251826
H 3.344107 -3.164224 1.652815
H -3.391907 -0.146704 -2.176823
H 5.210627 -1.491575 -1.832582
H 5.283402 -3.032779 0.128224
H 0.652257 5.374807 1.112176
H -0.497111 5.373758 -0.251532
H 1.208359 4.987369 -0.538497
H -0.878512 3.535971 2.300266
H -1.345778 2.145433 1.275286
H -1.946856 3.765459 0.892534


%chk=000196045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196045

0 1
O -5.372563 -1.016718 -1.090820
O -5.002542 -1.764810 1.035991
N 0.936363 0.115949 -0.573970
N 0.215224 3.707311 0.418278
N -4.593485 -1.250672 -0.081796
C 1.182367 1.399798 -1.300319
C -0.430787 -0.271011 -0.440482
C -0.005308 -1.003429 1.955596
C 2.050727 -0.776413 -0.353251
C 1.013160 -2.129742 1.670104
C -0.938787 -0.803341 0.786052
C 2.098179 -1.809576 0.642599
C 2.121790 2.352511 -0.524480
C 1.438411 2.930537 0.735102
C -1.328533 -0.054517 -1.528376
C -2.304734 -1.125101 0.885494
C 3.189498 -0.616455 -1.203352
C 3.259674 -2.623601 0.714813
C -3.168755 -0.913102 -0.211611
C -2.689256 -0.374523 -1.426869
C 4.325645 -1.438623 -1.105111
C 4.368615 -2.464046 -0.136916
C 0.504351 5.035997 -0.159067
C -0.718944 3.796010 1.560227
H 1.553364 1.226280 -2.330418
H 0.214271 1.922245 -1.374712
H 0.543851 -0.065832 2.172387
H -0.587712 -1.262792 2.857491
H 0.452230 -3.031471 1.351118
H 1.519200 -2.403122 2.615683
H 2.420281 3.170519 -1.209300
H 3.052515 1.837534 -0.224572
H 2.180813 3.541157 1.309322
H 1.143456 2.087644 1.388369
H -0.941636 0.333951 -2.474805
H -2.721396 -1.517927 1.817665
H 3.181259 0.151501 -1.979557
H 3.284427 -3.406358 1.483774
H -3.378779 -0.234408 -2.263099
H 5.166781 -1.278506 -1.788577
H 5.243028 -3.115701 -0.041820
H 1.045234 5.712466 0.550910
H -0.441679 5.527982 -0.447072
H 1.121074 4.936271 -1.068959
H -0.301393 4.354969 2.435556
H -0.992046 2.780309 1.898089
H -1.645153 4.307753 1.242495


