%chk=000218146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218146

0 1
O 1.031694 0.863424 1.969067
O -3.921690 2.111405 0.019763
O -2.773171 -2.567018 -0.371330
O -4.721942 -0.415224 -0.622513
N 2.118876 -2.062318 0.285670
C 2.733664 -2.923361 1.350225
C 2.238885 -2.858879 -0.981357
C 3.755742 -3.865344 0.676360
C 3.432146 -3.828756 -0.828767
C 2.772964 -0.720109 0.184875
C 1.699259 0.295562 -0.279679
C 2.343995 1.599886 -0.681846
C 0.697786 0.513013 0.861555
C -0.742389 0.269481 0.496248
C 2.930074 2.438777 0.278737
C 2.373235 1.969662 -2.034875
C -1.164690 -1.021721 0.218327
C -1.619677 1.362761 0.446344
C 3.541005 3.631950 -0.112011
C 2.986552 3.165136 -2.420718
C 3.572416 3.997269 -1.462120
C -2.954780 1.136642 0.102819
C -2.520841 -1.246826 -0.114843
C -3.430114 -0.173340 -0.181504
C -3.528799 3.475231 0.319846
C -4.125683 -2.961616 -0.721765
C -5.763230 0.008628 0.300526
H 3.183439 -2.324767 2.162653
H 1.900969 -3.504235 1.803285
H 1.286924 -3.422147 -1.092015
H 2.336185 -2.213353 -1.871871
H 4.788851 -3.531463 0.866618
H 3.679320 -4.887237 1.080956
H 4.301758 -3.483676 -1.411388
H 3.178884 -4.830555 -1.211042
H 3.163131 -0.405848 1.179687
H 3.636299 -0.696908 -0.512168
H 1.154387 -0.141681 -1.157568
H 2.893035 2.158956 1.335379
H 1.918121 1.329622 -2.788396
H -0.476022 -1.870977 0.263470
H -1.253683 2.357374 0.680656
H 3.993119 4.279230 0.637924
H 3.006690 3.447848 -3.471848
H 4.050059 4.926575 -1.764726
H -4.473364 4.014151 0.172973
H -3.184410 3.553274 1.355194
H -2.769421 3.815834 -0.390331
H -4.793590 -2.789259 0.126213
H -4.465770 -2.406157 -1.604205
H -3.997162 -4.028892 -0.932813
H -5.755704 1.102350 0.388479
H -6.668916 -0.340889 -0.204876
H -5.628618 -0.468983 1.272626


%chk=000218146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218146

0 1
O 1.002849 0.966916 1.653916
O -4.098878 1.451049 1.716622
O -2.971696 -0.440290 -2.673376
O -4.951862 0.610310 -0.805701
N 2.390502 -1.992573 1.020091
C 3.098329 -2.328200 2.286303
C 2.570052 -3.216201 0.185232
C 4.397679 -3.086966 1.861473
C 3.986378 -3.812310 0.538434
C 2.851708 -0.741224 0.363143
C 1.693172 -0.079940 -0.434989
C 2.206587 1.050576 -1.336689
C 0.633141 0.462610 0.549600
C -0.817771 0.440891 0.178890
C 2.734722 2.242408 -0.774055
C 2.201717 0.906463 -2.746993
C -1.285200 -0.010148 -1.073840
C -1.747874 0.919389 1.141051
C 3.248057 3.261793 -1.605421
C 2.715029 1.925743 -3.580478
C 3.241324 3.108138 -3.011659
C -3.118941 0.947936 0.843352
C -2.667213 0.000285 -1.379537
C -3.607728 0.484291 -0.423855
C -3.634066 2.033317 2.980661
C -4.281331 -1.040922 -2.982267
C -5.980111 -0.014698 0.056419
H 3.280661 -1.419679 2.883029
H 2.450554 -3.001454 2.882194
H 1.779577 -3.946463 0.442524
H 2.465540 -2.971404 -0.886484
H 5.211306 -2.363725 1.669633
H 4.747967 -3.789046 2.638644
H 4.718749 -3.621686 -0.265540
H 3.924989 -4.906668 0.675706
H 3.174681 -0.031314 1.144946
H 3.710129 -0.901135 -0.330134
H 1.237529 -0.860190 -1.069490
H 2.728027 2.371938 0.314541
H 1.794804 -0.008463 -3.196407
H -0.612062 -0.381128 -1.849704
H -1.346996 1.272885 2.094518
H 3.649818 4.177897 -1.157373
H 2.701662 1.798776 -4.669014
H 3.637434 3.901143 -3.655967
H -4.544969 2.393963 3.480765
H -3.132530 1.275302 3.611858
H -2.944480 2.878793 2.798046
H -4.551677 -1.812008 -2.235143
H -5.070657 -0.275013 -3.024302
H -4.138292 -1.512272 -3.967531
H -5.973477 0.439793 1.059160
H -6.934826 0.181341 -0.454979
H -5.806236 -1.106324 0.130080


