%chk=000192494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192494

0 1
O -3.983732 0.610821 2.236340
O 2.260904 0.326640 -1.967710
O 4.077517 3.098606 1.376043
O 1.877703 3.609787 1.210040
N 0.692554 -1.609479 -1.181712
N -1.427544 1.352059 0.903574
C -0.113029 -0.637076 -0.650952
C -1.445217 -0.906922 -0.092968
C 0.363426 0.702263 -0.624589
C -2.026350 0.096151 0.729184
C 1.531510 1.126144 -1.379062
C 1.865351 2.606337 -1.505321
C 0.529019 -3.037741 -1.088276
C -0.332767 1.631036 0.226363
C -2.187806 -2.074840 -0.390939
C -3.287934 -0.176093 1.359523
C 3.161371 2.937931 -0.769559
C 0.599199 -3.818606 -2.265837
C -3.422451 -2.295256 0.193561
C -3.969669 -1.364168 1.090879
C 0.394466 -3.642709 0.173382
C 0.526030 -5.214171 -2.141969
C 0.753819 -3.183115 -3.606103
C 0.319116 -5.032210 0.266589
C 2.906603 3.257715 0.679339
C 0.385707 -5.816458 -0.889955
C -3.442812 1.879286 2.688130
C 4.075712 3.392782 2.811028
C 4.108669 4.890238 3.030039
H 1.570759 -1.302619 -1.681427
H 1.980813 2.835840 -2.587667
H 1.037768 3.258596 -1.150450
H 0.086950 2.647781 0.364439
H -1.806829 -2.801460 -1.107155
H 3.896229 2.102327 -0.863247
H 3.666633 3.809713 -1.241640
H -3.986610 -3.198527 -0.039745
H -4.929820 -1.548551 1.571570
H 0.342540 -3.025577 1.071481
H 0.579183 -5.835435 -3.035756
H 0.626879 -3.897131 -4.430741
H 0.019734 -2.378248 -3.764699
H 1.752952 -2.734019 -3.724346
H 0.211568 -5.504581 1.242260
H 0.329276 -6.901778 -0.814132
H -2.468584 1.733261 3.164268
H -4.207640 2.191105 3.408215
H -3.366032 2.575287 1.846290
H 5.004780 2.882683 3.125201
H 3.188983 2.914581 3.264216
H 4.257308 5.137178 4.088085
H 4.916471 5.365439 2.459165
H 3.164727 5.359284 2.712854


%chk=000192494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192494

0 1
O -5.449445 0.366086 1.124574
O 1.819638 0.881844 -0.992163
O 4.850671 2.989036 0.088653
O 3.231103 2.466626 1.685856
N 0.326669 -1.229734 -0.748260
N -2.749749 1.399020 0.608967
C -0.719478 -0.415767 -0.368037
C -2.096321 -0.880395 -0.189498
C -0.453183 0.994163 -0.195932
C -3.058444 0.059666 0.357748
C 0.862654 1.581772 -0.480269
C 1.121900 3.064466 -0.187336
C 0.544286 -2.628156 -0.537953
C -1.521523 1.819502 0.297388
C -2.535792 -2.167490 -0.620069
C -4.413103 -0.389084 0.583069
C 2.573682 3.473005 -0.477691
C 1.312398 -3.336821 -1.511151
C -3.873945 -2.548358 -0.451274
C -4.801477 -1.679039 0.169494
C 0.115167 -3.274114 0.650669
C 1.601739 -4.701524 -1.267086
C 1.804931 -2.642328 -2.767324
C 0.412182 -4.634364 0.866030
C 3.539623 2.912464 0.556129
C 1.155893 -5.355855 -0.096836
C -5.216476 1.525034 2.008674
C 5.920954 2.509995 1.018474
C 6.356110 3.629178 1.968833
H 1.166877 -0.658771 -1.021445
H 0.431655 3.680837 -0.795952
H 0.885324 3.266852 0.874229
H -1.337341 2.887272 0.457530
H -1.838281 -2.856871 -1.097470
H 2.898934 3.134348 -1.474888
H 2.665413 4.576512 -0.459169
H -4.206964 -3.532770 -0.796044
H -5.842304 -1.975328 0.330550
H -0.442030 -2.705851 1.401748
H 2.184634 -5.256714 -2.011687
H 2.264011 -3.365446 -3.462007
H 0.980708 -2.127548 -3.294764
H 2.566400 -1.871405 -2.537750
H 0.075743 -5.123427 1.786582
H 1.392593 -6.412862 0.065563
H -4.445403 1.296396 2.764903
H -6.194086 1.690854 2.490039
H -4.894715 2.402537 1.430198
H 6.732986 2.202712 0.340377
H 5.535836 1.637138 1.574167
H 7.202299 3.282881 2.591139
H 6.684702 4.519587 1.405231
H 5.529747 3.914338 2.641341


