%chk=000285394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285394

0 1
O 6.190994 -2.302694 0.422216
O 1.771191 0.090015 1.335463
O -6.746626 0.093256 0.181624
O -5.906016 0.765077 -2.468769
N 4.241933 -1.131528 0.834583
N 0.957275 0.775893 -0.725339
N -0.345281 0.593648 -0.335051
C 4.643296 -3.197062 2.043870
C 5.132797 -4.636213 1.960368
C 3.703003 -4.311243 1.603122
C 5.142541 -2.212692 1.025079
C 4.441883 -0.012417 -0.015420
C 3.350538 0.851026 -0.294129
C 5.709597 0.270289 -0.575704
C 3.578384 2.023521 -1.038387
C 5.896135 1.415054 -1.336027
C 1.989127 0.542270 0.228623
C 4.834204 2.309019 -1.557873
C -2.700140 0.570469 -0.791891
C -5.396483 0.233974 -0.064326
C -5.051902 0.569259 -1.406566
C -3.710721 0.734730 -1.759924
C -3.045828 0.240736 0.523406
C -1.298385 0.757134 -1.213409
C -4.388271 0.073165 0.886234
C -7.157749 -0.244263 1.547027
C -8.668832 -0.310340 1.441329
C -7.329676 0.622650 -2.236464
H 4.502950 -2.747357 3.037570
H 5.841269 -4.902825 1.172639
H 5.361075 -5.170258 2.880894
H 2.891563 -4.606369 2.267568
H 3.381652 -4.361535 0.562926
H 3.353768 -1.139504 1.377475
H 6.546177 -0.418476 -0.401998
H 2.758570 2.726786 -1.198175
H 6.879516 1.629691 -1.758957
H 5.000761 3.218442 -2.130615
H 1.198040 1.045335 -1.687149
H -3.472361 0.990508 -2.791609
H -2.263937 0.111846 1.277015
H -4.623737 -0.182621 1.916032
H -1.161694 1.028867 -2.271246
H -6.810229 0.554938 2.223928
H -6.704579 -1.213097 1.818397
H -9.088966 0.648044 1.106695
H -8.986321 -1.068303 0.712169
H -9.123684 -0.559545 2.407362
H -7.556109 -0.396410 -1.905431
H -7.664718 1.357170 -1.496511
H -7.740592 0.829037 -3.230745


%chk=000285394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285394

0 1
O 6.404039 -2.358724 0.549846
O 1.704287 -0.749913 0.894157
O -7.005053 0.366577 0.267592
O -6.164769 1.824566 -2.034259
N 4.242877 -1.402720 0.598454
N 0.792274 0.663645 -0.722471
N -0.505160 0.412104 -0.306637
C 4.664618 -3.425529 1.865144
C 5.637806 -4.001812 2.922450
C 5.256072 -4.847996 1.718046
C 5.196478 -2.362287 0.949850
C 4.397043 -0.266111 -0.219400
C 3.231275 0.530026 -0.522232
C 5.663005 0.121939 -0.746151
C 3.403898 1.728137 -1.271545
C 5.785108 1.293216 -1.513739
C 1.878483 0.100036 -0.043678
C 4.660769 2.115692 -1.768014
C -2.879271 0.731365 -0.684867
C -5.635656 0.427917 -0.022323
C -5.257672 1.151329 -1.198292
C -3.891997 1.296006 -1.506260
C -3.266393 -0.009289 0.465141
C -1.472837 0.923331 -1.042892
C -4.625838 -0.157768 0.787162
C -7.421192 -0.291372 1.526670
C -8.938763 -0.157879 1.614112
C -7.320219 1.066918 -2.559314
H 3.609492 -3.349119 2.146071
H 6.640774 -3.566751 2.928108
H 5.218923 -4.248809 3.901683
H 4.570388 -5.688829 1.853126
H 6.008656 -4.966548 0.933909
H 3.283491 -1.481502 0.997327
H 6.526118 -0.510126 -0.529424
H 2.552351 2.400194 -1.432677
H 6.769908 1.577053 -1.900960
H 4.767521 3.047240 -2.332661
H 0.968545 1.218047 -1.572307
H -3.638272 1.869592 -2.405082
H -2.488389 -0.452989 1.093320
H -4.900260 -0.721499 1.683276
H -1.269850 1.520323 -1.957054
H -6.921229 0.210260 2.379510
H -7.110104 -1.355526 1.505480
H -9.237153 0.904158 1.612295
H -9.427942 -0.660532 0.762189
H -9.303761 -0.622241 2.548101
H -6.975600 0.173660 -3.115756
H -7.999192 0.765517 -1.745814
H -7.822228 1.764121 -3.247309


