%chk=000179271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179271

0 1
O -1.578013 0.027618 1.628334
O 0.396979 -2.986926 -1.619255
O 0.272027 1.209814 2.254812
O 5.878029 -0.617725 0.572990
N 0.557662 -0.744143 -1.136809
C -2.528096 -1.181266 -0.848675
C -2.373696 0.329495 -0.632550
C -1.574322 -1.669650 -1.977254
C -3.993000 -1.485458 -1.240465
C -2.244001 -2.034459 0.400768
C -2.707850 1.268126 -1.643298
C -1.940366 0.897158 0.584928
C -0.135622 -1.892124 -1.554849
C -2.658441 2.651052 -1.401211
C -1.890293 2.268611 0.843621
C -2.266826 3.165917 -0.161274
C -3.103005 0.873469 -3.033117
C -2.233679 4.635050 0.094534
C 1.916939 -0.721939 -0.673837
C -0.445782 0.258427 2.415718
C 2.332229 0.377513 0.097731
C 2.827653 -1.752819 -0.992240
C -0.344755 -0.862981 3.384392
C 3.654152 0.466130 0.540934
C 4.141320 -1.674933 -0.551759
C 4.545984 -0.559332 0.210306
C 6.409241 0.478477 1.352938
H -1.949738 -2.644171 -2.364233
H -1.603746 -0.985044 -2.852510
H -4.276740 -1.066570 -2.213516
H -4.179099 -2.563787 -1.289534
H -4.682016 -1.069461 -0.495564
H -2.894301 -1.748237 1.236842
H -1.209389 -1.941026 0.751199
H -2.410817 -3.099081 0.198872
H -2.932104 3.340114 -2.198834
H -1.543217 2.633061 1.809724
H -4.034231 0.278132 -3.034893
H -2.321058 0.256064 -3.511815
H -3.274524 1.736081 -3.690047
H 0.047600 0.139991 -1.055050
H -1.227828 4.963863 0.398151
H -2.516677 5.230233 -0.783214
H -2.919997 4.911876 0.908937
H 1.628473 1.167718 0.373292
H 2.493941 -2.618282 -1.576897
H -1.267490 -1.463599 3.442627
H -0.112392 -0.491610 4.395172
H 0.472137 -1.548909 3.094704
H 3.961289 1.320824 1.135200
H 4.863087 -2.456178 -0.782868
H 7.454723 0.172348 1.487463
H 6.344728 1.413385 0.789084
H 5.894219 0.546461 2.315290


%chk=000179271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179271

0 1
O -1.937523 -0.013686 1.832062
O 0.452995 -3.143444 -1.714469
O 0.225578 0.727557 2.381848
O 6.054353 -0.370525 0.419063
N 0.601315 -0.896770 -1.049496
C -2.540984 -1.248547 -0.876249
C -2.385699 0.287204 -0.595749
C -1.530329 -1.734985 -1.989452
C -4.004998 -1.530047 -1.352124
C -2.324590 -2.210227 0.331340
C -2.606263 1.271219 -1.634161
C -2.053438 0.841600 0.681885
C -0.077578 -1.999445 -1.557342
C -2.428095 2.654141 -1.364309
C -1.913191 2.220187 0.938452
C -2.082806 3.161175 -0.094478
C -3.112620 0.991422 -3.050898
C -1.912686 4.647360 0.157676
C 1.974125 -0.797986 -0.663596
C -0.765623 0.015808 2.632090
C 2.404485 0.412560 -0.066200
C 2.917856 -1.843600 -0.870891
C -0.926426 -0.947089 3.784283
C 3.751412 0.599925 0.306348
C 4.259965 -1.656984 -0.495794
C 4.687663 -0.440191 0.088596
C 6.531443 0.870244 1.029000
H -1.893033 -2.704108 -2.373626
H -1.499814 -1.034674 -2.840926
H -4.259166 -1.061924 -2.313869
H -4.150557 -2.620530 -1.462598
H -4.721973 -1.166088 -0.593855
H -3.053228 -2.029626 1.136818
H -1.310240 -2.144244 0.755100
H -2.457385 -3.244268 -0.038938
H -2.588928 3.363274 -2.185944
H -1.662628 2.547226 1.951892
H -4.218891 1.032113 -3.071931
H -2.821152 0.022854 -3.476948
H -2.749457 1.776537 -3.736753
H 0.046127 -0.043153 -0.929170
H -0.891985 4.878193 0.515290
H -2.091013 5.235010 -0.758792
H -2.616286 5.006059 0.932007
H 1.679154 1.208957 0.136025
H 2.585999 -2.783891 -1.313614
H -1.821278 -0.689551 4.376565
H -0.030540 -0.917160 4.420415
H -1.073296 -1.971370 3.398494
H 4.046762 1.544818 0.771454
H 4.997100 -2.451138 -0.649842
H 7.606163 0.712193 1.203272
H 6.387484 1.735568 0.351856
H 6.023023 1.069347 1.993176


