%chk=000198428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198428

0 1
O 0.464282 -2.857731 0.521841
O -2.172198 -2.003146 0.592415
O -3.573646 -0.499181 -1.571348
O 5.243269 -0.318173 0.001012
O 5.159101 1.912553 -0.208152
N -2.824183 0.845903 0.233894
N 2.560511 -0.659334 0.129216
N -5.100348 0.834994 -0.500607
C -0.505982 1.234444 0.046642
C -1.116853 2.601658 -0.048059
C -1.500113 0.264472 0.187957
C -2.625227 2.349792 0.213728
C 0.852126 0.868379 0.038107
C 1.182091 -0.535144 0.167377
C -1.170226 -1.115182 0.358654
C 0.169801 -1.515735 0.317134
C 2.083628 1.579832 -0.076703
C 3.111529 0.638226 -0.016683
C -3.805104 0.312188 -0.697367
C 4.547368 0.878074 -0.088785
C 0.661812 -3.591313 -0.722090
H -0.685912 3.295649 0.696810
H -0.935045 3.053596 -1.041884
H -2.925247 2.724469 1.214931
H -3.262757 2.842784 -0.543985
H 2.198765 2.642890 -0.190359
H 3.100819 -1.501689 0.237065
H -1.789290 -2.928624 0.716605
H -5.854206 0.336586 -0.959952
H -5.352257 1.229083 0.394048
H 1.528760 -3.197508 -1.257387
H -0.236764 -3.537456 -1.343061
H 0.843482 -4.609707 -0.361666
H 6.227413 -0.183049 -0.041848


%chk=000198428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198428

0 1
O 0.472126 -2.887077 0.485774
O -2.157973 -2.047635 0.618780
O -3.777680 -0.730286 -1.411748
O 5.261446 -0.373670 0.122155
O 5.180624 1.953996 -0.125136
N -2.810333 0.838779 0.074668
N 2.569608 -0.636249 0.137180
N -5.110742 0.905110 -0.409920
C -0.513748 1.245870 -0.022888
C -1.171340 2.611520 -0.160154
C -1.507079 0.257430 0.097285
C -2.650351 2.321712 0.253428
C 0.855420 0.880905 0.000967
C 1.186547 -0.522192 0.136855
C -1.174060 -1.113271 0.316566
C 0.185567 -1.506099 0.273897
C 2.099980 1.596332 -0.080343
C 3.132993 0.648916 0.007787
C -3.891829 0.259682 -0.636838
C 4.571889 0.861850 -0.014047
C 0.711466 -3.633755 -0.780511
H -0.713126 3.375878 0.490790
H -1.103282 2.977725 -1.203901
H -2.810141 2.594173 1.314911
H -3.382677 2.859124 -0.370783
H 2.252225 2.668003 -0.191535
H 3.117744 -1.481311 0.287697
H -1.698878 -2.908019 0.827100
H -5.914662 0.545479 -0.919555
H -5.266736 1.502749 0.399291
H 1.603298 -3.239361 -1.302003
H -0.166330 -3.559061 -1.448954
H 0.880996 -4.679395 -0.481852
H 6.238436 -0.195251 0.112537


