%chk=000213297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213297

0 1
O 0.016621 1.287354 0.140237
N 3.395494 -0.114434 0.027342
N -5.660567 -2.462240 -0.035474
C 4.374505 0.990635 0.298412
C 3.891672 -1.420713 0.574735
C 5.724208 0.664720 -0.362380
C 5.236108 -1.781699 -0.079559
C 6.274444 -0.675026 0.142288
C 2.047447 0.221408 0.586395
C 1.269666 0.964372 -0.512068
C -0.941317 1.940298 -0.731429
C -2.191218 2.091813 0.139966
C -3.103115 0.900622 0.053884
C -4.446934 1.045328 -0.314198
C -2.606731 -0.378250 0.362059
C -5.291059 -0.063973 -0.378994
C -3.432074 -1.496187 0.301949
C -4.787208 -1.341882 -0.064926
H 3.961486 1.925196 -0.138728
H 4.520568 1.177355 1.384277
H 4.000010 -1.409737 1.680402
H 3.138811 -2.199924 0.325386
H 6.442799 1.479647 -0.163071
H 5.593114 0.621764 -1.462340
H 5.083801 -1.935229 -1.167004
H 5.600212 -2.742785 0.325441
H 7.214713 -0.923545 -0.383203
H 6.531240 -0.602086 1.215813
H 2.076619 0.839439 1.509247
H 1.487998 -0.699332 0.859405
H 1.081682 0.324563 -1.390367
H 1.764912 1.896685 -0.828345
H -0.528325 2.916816 -1.036311
H -1.115693 1.310902 -1.620697
H -1.867313 2.225473 1.199532
H -2.721624 3.025234 -0.129977
H -4.844841 2.030497 -0.553514
H -1.554096 -0.481813 0.643753
H -6.333325 0.063782 -0.655275
H -3.039068 -2.477433 0.551126
H -6.490145 -2.386738 -0.606619
H -5.219280 -3.364678 -0.140768


%chk=000213297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213297

0 1
O -0.029709 1.139504 0.193570
N 3.465673 -0.193383 0.045821
N -5.769869 -2.454224 -0.086900
C 4.376235 0.933305 0.374735
C 4.044365 -1.493327 0.471315
C 5.741844 0.766053 -0.320858
C 5.401977 -1.743253 -0.217899
C 6.386039 -0.585008 0.066347
C 2.085265 0.024080 0.543122
C 1.277882 0.899639 -0.426771
C -0.899126 1.978900 -0.644840
C -2.250427 2.152954 0.072163
C -3.166189 0.936579 0.027690
C -4.444857 1.009694 -0.580797
C -2.781266 -0.307125 0.597133
C -5.312030 -0.102006 -0.626127
C -3.634301 -1.426871 0.560525
C -4.918400 -1.343733 -0.052602
H 3.903681 1.880073 0.055296
H 4.536683 1.002599 1.484623
H 4.188625 -1.531089 1.584737
H 3.331181 -2.295255 0.203984
H 6.403622 1.608779 -0.041717
H 5.590549 0.804369 -1.416953
H 5.234063 -1.825357 -1.309289
H 5.820196 -2.706836 0.132406
H 7.333527 -0.737195 -0.484645
H 6.638548 -0.574193 1.147315
H 2.063004 0.492989 1.556587
H 1.576293 -0.953361 0.629180
H 1.162877 0.378135 -1.400520
H 1.791548 1.869225 -0.613481
H -0.413079 2.970683 -0.791668
H -1.038433 1.505438 -1.641676
H -2.024711 2.439067 1.119022
H -2.768248 3.016486 -0.388845
H -4.774017 1.956859 -1.028073
H -1.793495 -0.388330 1.062512
H -6.296124 -0.011042 -1.103499
H -3.310937 -2.375081 1.009470
H -6.687615 -2.393644 -0.516811
H -5.486646 -3.338900 0.322818


