%chk=000200669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200669

0 1
O -3.084161 0.251782 0.128729
O -2.785684 3.158298 0.183852
N 3.097516 0.619126 -0.108211
C 1.852677 -0.130492 0.284025
C 0.603507 0.732063 0.222806
C 1.660321 -1.326594 -0.681985
C 3.149829 1.949400 0.579473
C 0.673139 2.133478 0.167907
C 2.001048 2.823793 0.060526
C -0.648263 0.074988 0.219602
C 0.452851 -2.106718 -0.252119
C -0.673039 -1.402448 0.241268
C 4.330553 -0.184684 0.201260
C -1.822775 0.850268 0.157046
C -0.495961 2.899789 0.172743
C -1.746023 2.261944 0.175420
C 0.439464 -3.503892 -0.300686
C -1.759516 -2.127277 0.749627
C 5.517255 0.358567 -0.594961
C -0.668920 -4.211960 0.176352
C -1.759049 -3.525114 0.714799
C -3.453292 -0.226611 -1.196504
C -4.128474 2.667025 0.428578
H 1.932114 -0.524668 1.336496
H 2.572755 -1.954486 -0.708327
H 1.532543 -0.950490 -1.720481
H 4.121892 2.431850 0.336465
H 3.096059 1.866726 1.686952
H 2.176797 3.064994 -1.013528
H 1.996210 3.792624 0.596989
H 4.571186 -0.204921 1.286104
H 4.145091 -1.242107 -0.102120
H -0.462121 3.987404 0.163597
H 1.294140 -4.044388 -0.701471
H -2.614609 -1.590238 1.172909
H 5.251249 0.484517 -1.654138
H 5.845116 1.338278 -0.230542
H 6.372052 -0.323078 -0.541132
H -0.674243 -5.299791 0.136655
H -2.610334 -4.075384 1.109760
H -3.486295 0.609108 -1.899788
H -4.446920 -0.650704 -1.022051
H -2.747616 -0.994093 -1.530043
H -4.514110 2.204207 -0.483312
H -4.663553 3.591241 0.674395
H -4.140908 1.955067 1.260962


%chk=000200669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200669

0 1
O -3.129087 0.069556 -0.066029
O -3.001014 2.906011 -0.253624
N 3.112205 0.610280 -0.066036
C 1.871190 -0.168140 0.212656
C 0.587749 0.664926 0.083319
C 1.716869 -1.379870 -0.740604
C 3.060354 1.962415 0.546341
C 0.624175 2.072100 -0.060017
C 1.956590 2.797624 -0.112271
C -0.663400 -0.041205 0.091260
C 0.531212 -2.210382 -0.283330
C -0.646445 -1.531819 0.163988
C 4.340672 -0.119682 0.359184
C -1.865459 0.714745 -0.032030
C -0.585227 2.799865 -0.146745
C -1.820848 2.134580 -0.118767
C 0.585040 -3.621159 -0.260040
C -1.731656 -2.307701 0.658309
C 5.609278 0.372405 -0.363063
C -0.508342 -4.382309 0.211370
C -1.663410 -3.717016 0.681188
C -3.789654 0.117864 -1.392525
C -3.917720 2.851807 0.908030
H 1.899914 -0.572153 1.262746
H 2.627537 -2.002901 -0.756392
H 1.570213 -0.988271 -1.767398
H 4.037937 2.452502 0.397508
H 2.882807 1.901829 1.651698
H 2.237999 2.985374 -1.167013
H 1.876043 3.783059 0.385321
H 4.481402 -0.048764 1.468470
H 4.207083 -1.191424 0.132165
H -0.581278 3.891725 -0.233293
H 1.495056 -4.126060 -0.606780
H -2.628716 -1.798838 1.015007
H 5.482084 0.280635 -1.455708
H 5.838461 1.428639 -0.134315
H 6.483894 -0.230791 -0.055939
H -0.453644 -5.476752 0.225603
H -2.510837 -4.293750 1.068731
H -3.945717 1.165669 -1.706219
H -4.755634 -0.393492 -1.260038
H -3.178198 -0.419821 -2.140968
H -4.236684 1.813878 1.109502
H -4.781070 3.475002 0.628301
H -3.422226 3.276206 1.802348


