%chk=000229399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229399

0 1
O -2.324502 -0.055745 2.267450
N -1.663657 -0.582351 0.115752
N 3.933463 0.153002 0.511164
N 4.696718 -0.101235 -0.453237
C -4.738794 0.256643 -0.100245
C -4.016224 -0.702266 0.682520
C -6.062422 -0.063611 -0.504979
C -4.593689 -1.894469 1.055511
C -4.182950 1.520111 -0.481162
C -6.636957 -1.314196 -0.113518
C -2.620688 -0.400091 1.144367
C -6.799319 0.876318 -1.294903
C -5.922089 -2.203749 0.649508
C -4.914168 2.402266 -1.235849
C -6.238482 2.075977 -1.652139
C -0.253515 -0.396314 0.229620
C 0.360644 0.003312 1.431309
C 0.526373 -0.629807 -0.926536
C 2.523898 -0.063119 0.328550
C 1.741103 0.168928 1.478530
C 1.905503 -0.464019 -0.872839
C 6.110815 0.129168 -0.266645
C 6.935965 -0.475618 -1.234938
C 6.671745 0.919366 0.753139
C 8.317430 -0.288206 -1.171361
C 8.055234 1.100365 0.799690
C 8.877878 0.498132 -0.158232
H -4.048036 -2.614926 1.668176
H -3.175761 1.778807 -0.152135
H -7.655099 -1.543287 -0.430194
H -7.812622 0.618899 -1.601760
H -6.356088 -3.154257 0.958704
H -4.497204 3.367014 -1.525463
H -2.003994 -0.873109 -0.806549
H -6.792003 2.797517 -2.251874
H -0.243238 0.183938 2.328703
H 0.059359 -0.938914 -1.858963
H 2.224418 0.479040 2.408754
H 2.515464 -0.643362 -1.762150
H 6.492030 -1.084198 -2.023454
H 6.026334 1.384463 1.499955
H 8.961199 -0.755585 -1.915264
H 8.494165 1.712300 1.586683
H 9.956366 0.641666 -0.116194


%chk=000229399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229399

0 1
O -2.348126 -0.565061 2.581132
N -1.693322 -0.411621 0.329535
N 3.958625 0.068109 0.626310
N 4.623451 0.121580 -0.502846
C -4.658879 0.162757 -0.189617
C -4.077497 -0.632339 0.872513
C -6.020168 -0.134919 -0.603455
C -4.854788 -1.596024 1.533562
C -3.989116 1.268398 -0.822307
C -6.759328 -1.162899 0.068394
C -2.650185 -0.507523 1.350992
C -6.618528 0.625555 -1.662232
C -6.195372 -1.866158 1.133793
C -4.605517 1.997536 -1.842931
C -5.924477 1.664747 -2.282701
C -0.284648 -0.295842 0.438678
C 0.400760 -0.224482 1.683401
C 0.458635 -0.246826 -0.780648
C 2.544759 -0.053322 0.478586
C 1.801645 -0.103609 1.687291
C 1.852450 -0.127219 -0.766251
C 6.043845 0.240211 -0.349010
C 6.779021 0.310860 -1.562087
C 6.728269 0.286995 0.899843
C 8.184560 0.428572 -1.533610
C 8.130299 0.403822 0.919122
C 8.864077 0.475231 -0.293539
H -4.402120 -2.149777 2.362235
H -3.000531 1.578960 -0.469165
H -7.783642 -1.376202 -0.259457
H -7.643130 0.382428 -1.967871
H -6.770608 -2.635861 1.658320
H -4.080136 2.843084 -2.300198
H -2.058663 -0.464585 -0.625718
H -6.391621 2.241110 -3.088187
H -0.168551 -0.270145 2.612400
H -0.073835 -0.305231 -1.739335
H 2.352154 -0.047183 2.632048
H 2.432013 -0.088753 -1.693254
H 6.225361 0.271605 -2.506151
H 6.142443 0.230093 1.822289
H 8.748159 0.483236 -2.471320
H 8.661024 0.439673 1.877363
H 9.955839 0.565818 -0.268416


