%chk=000201296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201296

0 1
O 6.350829 -0.641105 0.538019
O -0.298990 2.581602 0.913492
O -0.134256 0.766179 2.196331
N 3.665624 -0.040609 -0.235671
C -0.171437 0.479657 -0.274386
C 1.215162 -0.215815 -0.282313
C 2.400184 0.765177 -0.236788
C -0.302842 1.465816 -1.461635
C -1.332868 -0.518202 -0.286942
C 3.979153 -0.549461 1.141071
C 4.817323 0.775030 -0.746250
C -0.211023 1.210238 1.077890
C -2.691707 -0.089840 -0.040086
C -0.302236 0.770138 -2.816304
C 5.250104 -1.409138 1.067952
C 6.069501 -0.116944 -0.775295
C -1.089923 -1.849901 -0.544229
C -3.722072 -1.069206 0.004274
C -2.131508 -2.819791 -0.525031
C -3.073381 1.277009 0.155486
C -3.417345 -2.445323 -0.242774
C -5.071029 -0.679755 0.287336
C -4.372925 1.629956 0.419346
C -5.389971 0.636962 0.497541
H 1.279898 -0.918607 0.576793
H 1.311439 -0.844171 -1.193460
H 2.317585 1.448367 0.635752
H 2.380285 1.410344 -1.143854
H -1.235192 2.061293 -1.343768
H 0.517019 2.211609 -1.413347
H 3.123031 -1.165900 1.491781
H 4.118560 0.266389 1.883120
H 5.015213 1.679452 -0.131869
H 4.577639 1.116547 -1.775458
H -0.434399 1.494753 -3.628475
H -1.117908 0.039151 -2.896520
H 0.636400 0.234936 -3.003179
H 5.620215 -1.694559 2.067981
H 5.103732 -2.305648 0.440266
H 5.954422 -0.958834 -1.480739
H 6.984950 0.455735 -1.003768
H -0.086029 -2.214000 -0.769486
H -1.878941 -3.859493 -0.729462
H -2.316201 2.062824 0.067637
H -4.222588 -3.177394 -0.205148
H -5.836547 -1.453552 0.332057
H -0.313186 3.067136 1.780651
H -4.646346 2.673572 0.568799
H -6.411221 0.941775 0.718860


%chk=000201296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201296

0 1
O 6.412515 -0.629808 0.602057
O -0.140528 2.670147 0.945023
O -0.115650 0.724525 2.193345
N 3.691274 -0.013863 -0.221418
C -0.192002 0.516889 -0.282528
C 1.206639 -0.201701 -0.320958
C 2.422578 0.750091 -0.316018
C -0.345310 1.481793 -1.511871
C -1.360313 -0.513933 -0.253983
C 3.997217 -0.465269 1.162556
C 4.854887 0.723368 -0.780024
C -0.169230 1.265693 1.068381
C -2.730406 -0.099435 0.008820
C -0.210023 0.781029 -2.880801
C 5.254813 -1.349007 1.161201
C 6.099569 -0.179457 -0.764226
C -1.117329 -1.866439 -0.528065
C -3.789912 -1.094618 -0.032016
C -2.161835 -2.839415 -0.568295
C -3.113114 1.252139 0.320913
C -3.478570 -2.461434 -0.326689
C -5.146437 -0.707571 0.229635
C -4.442020 1.599101 0.574249
C -5.475385 0.614106 0.527589
H 1.261960 -0.881290 0.548320
H 1.282341 -0.819812 -1.231008
H 2.338029 1.501244 0.508884
H 2.446103 1.321352 -1.262849
H -1.331422 1.974250 -1.463521
H 0.401375 2.290782 -1.425718
H 3.145622 -1.044176 1.563356
H 4.163427 0.409376 1.841441
H 5.075320 1.654172 -0.198205
H 4.628298 1.016348 -1.822892
H -0.423454 1.499605 -3.692854
H -0.921551 -0.058369 -2.977501
H 0.807960 0.384911 -3.050489
H 5.548021 -1.624828 2.187575
H 5.061789 -2.267718 0.566276
H 5.924452 -1.060937 -1.418459
H 6.993820 0.367015 -1.107119
H -0.099389 -2.212975 -0.717077
H -1.912895 -3.883056 -0.788734
H -2.358427 2.040380 0.370169
H -4.290475 -3.197801 -0.353105
H -5.924748 -1.479439 0.193455
H -0.082543 3.061189 1.860065
H -4.694809 2.638449 0.811796
H -6.514034 0.898795 0.727515


