%chk=000183285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183285

0 1
O -1.825426 -4.272847 -1.538458
N -3.156689 0.783315 0.262401
N 1.391898 0.068607 -0.873223
N 0.779834 2.205104 -0.015712
N 5.621095 -0.663328 -0.285407
C -0.929837 0.489015 -0.241889
C -1.918482 1.431547 0.216516
C -1.599183 -0.758792 -0.501449
C -2.990807 -0.560634 -0.182338
C 0.421987 0.921532 -0.354877
C -1.548936 2.760165 0.542403
C 2.835176 0.405498 -0.819196
C 3.437285 0.175315 0.577237
C -1.168038 -2.005529 -0.965911
C -3.934798 -1.585520 -0.317719
C -4.446046 1.371486 0.640691
C 4.959825 0.383855 0.564195
C -0.192122 3.067519 0.399162
C -2.517929 3.792015 1.007362
C -2.134443 -3.006825 -1.091166
C -3.499886 -2.822975 -0.775806
C 5.690737 -1.971937 0.430952
C 6.992605 -0.222034 -0.681297
H 3.358522 -0.224763 -1.575758
H 2.974577 1.469021 -1.125392
H 3.190786 -0.839331 0.942017
H 2.977390 0.882737 1.298090
H 1.170488 -0.926575 -0.882354
H -0.130656 -2.176460 -1.227555
H -4.981721 -1.422015 -0.073660
H -4.369492 1.884570 1.617136
H -4.784034 2.103219 -0.116038
H -5.221754 0.591495 0.731581
H 5.340378 0.399507 1.607950
H 5.186660 1.385238 0.134875
H 0.177645 4.074816 0.634878
H -2.025920 4.752262 1.217546
H -3.285606 3.991634 0.247245
H -3.019481 3.485162 1.935265
H -4.186124 -3.657432 -0.902230
H 4.671184 -2.287994 0.704437
H 6.306060 -1.969388 1.342345
H 6.093388 -2.732703 -0.256523
H 6.912535 0.696947 -1.284152
H 7.443718 -0.990919 -1.328901
H 7.679783 -0.031176 0.155379
H -0.871144 -4.360205 -1.773552


%chk=000183285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183285

0 1
O -2.124983 -4.352487 -1.702073
N -3.196642 0.791434 0.237978
N 1.389774 -0.149987 -0.651726
N 0.831618 2.024168 0.048067
N 5.766821 -0.522843 -0.268340
C -0.968791 0.401021 -0.210081
C -1.918826 1.385248 0.241264
C -1.702573 -0.814637 -0.518380
C -3.081026 -0.536323 -0.224563
C 0.417438 0.759907 -0.267315
C -1.498848 2.707823 0.580841
C 2.821754 0.183096 -0.713623
C 3.518555 0.179707 0.667763
C -1.357599 -2.096494 -1.022626
C -4.097034 -1.496973 -0.407510
C -4.493519 1.362867 0.607751
C 5.027733 0.473881 0.552014
C -0.111000 2.933109 0.438110
C -2.388484 3.843060 1.053175
C -2.379435 -3.055374 -1.203242
C -3.735494 -2.767240 -0.897659
C 5.858626 -1.847190 0.378885
C 7.098707 -0.025652 -0.671063
H 3.325270 -0.537726 -1.382446
H 2.919309 1.189235 -1.158615
H 3.344150 -0.789207 1.175631
H 3.050206 0.961104 1.294229
H 1.116111 -1.123154 -0.760580
H -0.328050 -2.356919 -1.299634
H -5.145411 -1.275420 -0.184797
H -4.365528 2.362145 1.037518
H -5.157522 1.441122 -0.274708
H -4.990032 0.723871 1.362014
H 5.467582 0.558012 1.580556
H 5.157859 1.461674 0.067890
H 0.282111 3.932967 0.665876
H -1.779130 4.752966 1.196607
H -3.180419 4.096589 0.322207
H -2.877203 3.628450 2.023825
H -4.483085 -3.548835 -1.059521
H 4.850977 -2.252370 0.573936
H 6.412604 -1.821508 1.353279
H 6.381471 -2.551152 -0.293373
H 6.989796 0.922976 -1.226263
H 7.584423 -0.759789 -1.339337
H 7.785572 0.157057 0.195328
H -1.162832 -4.470010 -1.898165


