%chk=000182111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182111

0 1
O -0.000368 1.261871 -0.000367
N -1.182263 -0.742248 0.000650
N 1.181179 -0.742347 0.000750
C -4.907949 -0.700176 -0.000063
C 4.906825 -0.699826 0.000089
C -5.183100 0.692811 -0.000368
C 5.181754 0.693209 0.000094
C -2.520221 -0.228193 0.000257
C 2.519062 -0.228192 0.000453
C -3.554470 -1.150305 0.000225
C 3.553442 -1.150173 0.000277
C -4.088926 1.615025 -0.000311
C 4.087454 1.615245 0.000227
C -2.790855 1.177037 0.000017
C 2.789438 1.177041 0.000385
C -6.002046 -1.625304 -0.000086
C 6.001093 -1.624789 -0.000090
C -6.541988 1.137986 -0.000723
C 6.540599 1.138597 -0.000041
C -0.000499 0.046205 0.000275
C -7.296047 -1.168642 -0.000405
C 7.295004 -1.167927 -0.000231
C -7.571693 0.230331 -0.000724
C 7.570434 0.231117 -0.000201
H -3.368777 -2.220671 0.000451
H 3.367867 -2.220565 0.000239
H -4.307303 2.684227 -0.000497
H 4.305625 2.684489 0.000167
H -1.957776 1.889848 0.000074
H 1.956221 1.889694 0.000428
H -5.785034 -2.691523 0.000184
H 5.784216 -2.691036 -0.000131
H -6.740739 2.209047 -0.000963
H 6.739144 2.209698 -0.000031
H -1.107084 -1.761005 0.001140
H 1.105994 -1.761103 0.001115
H -8.133471 -1.865363 -0.000392
H 8.132562 -1.864484 -0.000382
H -8.608763 0.559889 -0.000990
H 8.607462 0.560802 -0.000300


%chk=000182111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182111

0 1
O -0.000604 1.544472 -0.000157
N -1.165545 -0.510816 0.000116
N 1.164390 -0.510755 0.000179
C -4.905297 -0.729235 -0.000118
C 4.904165 -0.728813 0.000162
C -5.284400 0.669510 -0.000204
C 5.283118 0.669974 0.000115
C -2.521928 -0.081442 -0.000028
C 2.520731 -0.081271 0.000116
C -3.518379 -1.072463 -0.000039
C 3.517286 -1.072191 0.000142
C -4.244627 1.655897 -0.000219
C 4.243242 1.656250 0.000062
C -2.894835 1.307848 -0.000134
C 2.893486 1.308053 0.000073
C -5.938602 -1.726787 -0.000113
C 5.937578 -1.726254 0.000214
C -6.674794 1.017811 -0.000273
C 6.673475 1.018425 0.000121
C -0.000595 0.280720 0.000039
C -7.285686 -1.357280 -0.000186
C 7.284620 -1.356601 0.000222
C -7.659473 0.026211 -0.000268
C 7.658259 0.026931 0.000176
H -3.240680 -2.136414 0.000013
H 3.239700 -2.136171 0.000155
H -4.523599 2.716546 -0.000300
H 4.522094 2.716930 0.000023
H -2.110259 2.065450 -0.000167
H 2.108828 2.065574 0.000012
H -5.655524 -2.786830 -0.000055
H 5.654612 -2.786327 0.000253
H -6.954377 2.078490 -0.000337
H 6.952941 2.079135 0.000084
H -1.048340 -1.526308 0.000290
H 1.047248 -1.526256 0.000293
H -8.066907 -2.125852 -0.000184
H 8.065926 -2.125086 0.000267
H -8.720553 0.299196 -0.000324
H 8.719310 0.300027 0.000183


