%chk=000216632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216632

0 1
O 3.691555 -2.367648 -0.730209
N -1.543657 -1.504325 0.115411
N 1.780846 -1.684571 0.321640
N 5.045813 2.724554 -1.815695
C -2.661625 -0.504820 0.144511
C -4.393849 0.483671 1.702651
C -3.244354 1.949825 0.005516
C -4.915794 0.218535 -0.749874
C -3.261008 -0.555758 1.578217
C -2.106324 0.916099 -0.127345
C -3.785659 -0.823501 -0.883517
C -3.831340 1.895558 1.432130
C -5.503122 0.164096 0.677136
C -4.352833 1.630577 -1.021240
C -0.802701 -1.595056 -1.179159
C 0.133552 -2.813559 -1.202567
C 1.045373 -2.935881 0.031258
C 3.072005 -1.483328 -0.159228
C 3.637523 -0.114840 0.117627
C 4.105605 0.634137 -0.961540
C 3.709593 0.374249 1.426987
C 4.652448 1.913564 -0.723404
C 4.256288 1.642266 1.653032
C 4.726720 2.416791 0.594118
H -4.816783 0.443618 2.731350
H -2.839174 2.967763 -0.190229
H -5.715690 -0.010200 -1.489094
H -3.644263 -1.564199 1.807129
H -2.467963 -0.352870 2.320878
H -1.658637 0.977288 -1.133676
H -1.293044 1.141556 0.585725
H -4.183977 -1.837873 -0.717461
H -3.381766 -0.813262 -1.910205
H -3.053836 2.145824 2.174691
H -4.625477 2.652881 1.548432
H -6.333279 0.884640 0.775848
H -5.933776 -0.831987 0.876740
H -5.159249 2.381415 -0.958081
H -3.952944 1.692976 -2.047784
H -1.898696 -2.432414 0.371542
H -0.206281 -0.661216 -1.290822
H -1.478514 -1.640862 -2.062808
H 0.762115 -2.755669 -2.115758
H -0.453005 -3.747214 -1.301560
H 1.780156 -3.761464 -0.130615
H 0.444476 -3.191620 0.933097
H 1.212961 -0.914833 0.673804
H 4.055915 0.228248 -1.970407
H 3.357329 -0.227963 2.261312
H 4.316955 2.028694 2.670843
H 5.140556 3.403694 0.782010
H 5.707172 3.459581 -1.609729
H 5.277262 2.238136 -2.670829


%chk=000216632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216632

0 1
O 3.588711 -2.095636 -0.966432
N -1.448737 -1.748918 -0.064509
N 1.497095 -1.882862 0.034313
N 5.439022 2.666069 -1.099298
C -2.410136 -0.611579 0.092533
C -3.738621 0.656372 1.871486
C -2.701174 1.917159 -0.066623
C -4.696671 0.401242 -0.461125
C -2.773939 -0.528522 1.601904
C -1.740591 0.725868 -0.331316
C -3.732412 -0.790210 -0.721554
C -3.049957 1.981115 1.444615
C -5.042715 0.463389 1.051128
C -4.004241 1.723947 -0.889529
C -0.954744 -2.075612 -1.429360
C -0.004745 -3.297452 -1.408679
C 1.057126 -3.248084 -0.268454
C 2.729416 -1.386781 -0.342106
C 3.002373 0.057476 0.015556
C 4.060611 0.691064 -0.670218
C 2.263518 0.773023 0.996777
C 4.393850 2.048371 -0.410089
C 2.595826 2.120271 1.261125
C 3.640823 2.762970 0.567880
H -3.979317 0.691986 2.952308
H -2.202524 2.857199 -0.374047
H -5.624011 0.258094 -1.050744
H -3.248687 -1.481937 1.919131
H -1.841877 -0.414534 2.189826
H -1.477821 0.701250 -1.407228
H -0.796196 0.857378 0.233351
H -4.217221 -1.744936 -0.427915
H -3.505890 -0.854436 -1.804357
H -2.129043 2.140868 2.040806
H -3.722747 2.839522 1.642854
H -5.741966 1.300825 1.246989
H -5.554394 -0.469650 1.362924
H -4.687836 2.580516 -0.724222
H -3.768636 1.696257 -1.972540
H -1.838455 -2.592183 0.387889
H -0.394114 -1.200809 -1.805737
H -1.770976 -2.274925 -2.162018
H 0.502168 -3.345423 -2.390633
H -0.587307 -4.235140 -1.301372
H 1.949353 -3.831313 -0.551661
H 0.633746 -3.687615 0.654480
H 0.746331 -1.279487 0.392418
H 4.622546 0.096937 -1.400525
H 1.476903 0.285673 1.582803
H 2.040039 2.676485 2.025010
H 3.884890 3.810116 0.786301
H 5.691443 3.631148 -0.910048
H 5.985506 2.148756 -1.781267


