%chk=000217131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217131

0 1
O -2.304204 -1.718404 0.942067
O 0.980267 2.540946 1.048529
O 6.281614 -1.009956 -0.350444
N -3.855577 -0.094432 0.587067
N 0.893677 0.419162 0.088205
N -6.343086 -0.455619 -0.842127
C -1.497899 0.226419 -0.232357
C -0.158125 -0.551234 -0.337134
C -1.173209 1.497008 0.570071
C -2.566561 -0.630648 0.449274
C 0.345454 1.597555 0.627761
C -4.927108 -0.979079 1.132376
C -4.403371 0.979250 -0.280745
C -5.794116 -1.564096 -0.000825
C -5.250995 0.381817 -1.426271
C 2.284601 0.086447 -0.001655
C 3.259763 1.088567 0.159220
C 2.678699 -1.245741 -0.259129
C 4.615706 0.775427 0.055497
C 4.026368 -1.564432 -0.368948
C 4.988431 -0.546734 -0.211401
C 7.357124 -0.056719 -0.181366
H -1.844059 0.496127 -1.258299
H -0.161660 -1.445120 0.335741
H 0.030224 -0.898866 -1.372415
H -1.574624 1.459975 1.604849
H -1.596846 2.410959 0.116358
H -5.552021 -0.367260 1.821591
H -4.465578 -1.799835 1.730281
H -3.599791 1.623747 -0.686858
H -5.048907 1.630272 0.358687
H -5.203738 -2.306356 -0.580590
H -6.658516 -2.108222 0.440787
H -5.730426 1.205659 -2.000249
H -4.599000 -0.173966 -2.133120
H -6.908882 -0.853137 -1.600882
H 2.961523 2.120899 0.378079
H 1.941131 -2.039380 -0.364606
H 5.355464 1.559746 0.185576
H 4.353301 -2.583323 -0.568188
H 8.242019 -0.688648 -0.332398
H 7.341960 0.359642 0.830002
H 7.297974 0.723482 -0.945413


%chk=000217131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217131

0 1
O -2.396146 -1.728296 1.392588
O 0.988607 2.676073 0.979816
O 6.370148 -0.969820 -0.495588
N -3.912747 -0.304653 0.354298
N 0.914868 0.390234 0.297963
N -6.415289 -0.266169 -0.999253
C -1.455937 0.113811 0.078620
C -0.117919 -0.666115 0.129216
C -1.149183 1.405968 0.885516
C -2.619535 -0.714596 0.652155
C 0.365498 1.604780 0.730725
C -5.066278 -1.061038 0.901800
C -4.305645 0.871137 -0.453247
C -6.014975 -1.473678 -0.242038
C -5.259890 0.437953 -1.590019
C 2.302122 0.095765 0.116794
C 3.289643 1.116558 0.119191
C 2.715467 -1.253226 -0.079669
C 4.649745 0.799035 -0.079005
C 4.069712 -1.568445 -0.278970
C 5.047097 -0.544660 -0.283872
C 7.411603 0.058855 -0.501141
H -1.658106 0.390064 -0.972319
H -0.123513 -1.373968 0.978601
H 0.061070 -1.232125 -0.801408
H -1.374557 1.274564 1.961323
H -1.687010 2.302844 0.538204
H -5.614997 -0.414618 1.614666
H -4.667620 -1.937415 1.436659
H -3.420651 1.372836 -0.871305
H -4.840165 1.591610 0.197814
H -5.492624 -2.230795 -0.876828
H -6.916362 -1.946716 0.187157
H -5.615971 1.335359 -2.127925
H -4.682515 -0.195240 -2.310111
H -7.169750 -0.441340 -1.673049
H 2.985921 2.151038 0.289274
H 1.986723 -2.068507 -0.062953
H 5.383407 1.610753 -0.070487
H 4.390467 -2.603817 -0.427490
H 8.352068 -0.484022 -0.676580
H 7.461892 0.587634 0.470820
H 7.248328 0.794288 -1.313343


