%chk=000241398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241398

0 1
O -2.308263 -1.382553 -0.389891
O 2.308308 -1.382620 0.389559
N -3.665594 0.583545 -0.104646
N 3.665607 0.583566 0.104809
C -2.508923 1.517045 -0.312737
C 2.508929 1.516998 0.313144
C -1.203437 0.782862 -0.178170
C 1.203452 0.782832 0.178388
C -4.993223 1.234371 -0.408644
C 4.993217 1.234346 0.408967
C -1.176837 -0.628481 -0.194262
C 1.176871 -0.628515 0.194122
C 0.000003 1.471524 0.000197
C -3.477260 -0.669394 -0.883115
C 3.477294 -0.669568 0.882966
C 0.000022 -1.360167 -0.000163
C -6.118461 0.249743 -0.124025
C 6.118486 0.249824 0.124101
C -5.189347 2.475085 0.474301
C 5.189290 2.475280 -0.473676
C -6.165622 -0.454274 1.088426
C -7.135069 0.070234 -1.072439
C 6.165682 -0.453869 -1.088538
C 7.135087 0.070088 1.072480
C -7.221022 -1.331768 1.347264
C -8.191174 -0.807079 -0.807628
C 7.221108 -1.331266 -1.347596
C 8.191219 -0.807126 0.807448
C -8.236019 -1.508832 0.400691
C 8.236098 -1.508555 -0.401058
H -2.546628 2.042701 -1.293692
H -2.574672 2.294170 0.485423
H 2.546632 2.042399 1.294234
H 2.574673 2.294329 -0.484815
H -5.038914 1.552883 -1.486210
H 5.038897 1.552599 1.486609
H -0.000004 2.561460 0.000335
H -3.323675 -0.530509 -1.971843
H -4.284873 -1.401358 -0.664591
H 4.284917 -1.401467 0.664264
H 3.323702 -0.530956 1.971727
H 0.000029 -2.446185 -0.000301
H -6.236176 2.803359 0.454513
H -4.572615 3.317875 0.149173
H -4.938117 2.259284 1.522587
H 6.236106 2.803587 -0.453817
H 4.572528 3.317966 -0.148336
H 4.938055 2.259724 -1.522010
H -5.364634 -0.319632 1.818886
H -7.110883 0.612852 -2.015200
H 5.364699 -0.319054 -1.818972
H 7.110875 0.612454 2.015385
H -7.252226 -1.879419 2.287943
H -8.979718 -0.943406 -1.545520
H 7.252339 -1.878666 -2.288421
H 8.979757 -0.943629 1.545314
H -9.057979 -2.192095 0.604578
H 9.058079 -2.191742 -0.605116


%chk=000241398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241398

0 1
O -2.345101 -1.428649 -0.517632
O 2.345245 -1.428708 0.517143
N -3.675851 0.586320 -0.297491
N 3.675868 0.586416 0.297671
C -2.522679 1.510787 -0.428906
C 2.522656 1.510773 0.429494
C -1.215142 0.750436 -0.234409
C 1.215158 0.750420 0.234737
C -5.018014 1.196390 -0.527200
C 5.018033 1.196443 0.527485
C -1.187451 -0.670994 -0.254508
C 1.187550 -0.671019 0.254313
C -0.000012 1.428625 0.000289
C -3.436600 -0.621928 -1.094035
C 3.436733 -0.622136 1.093779
C 0.000070 -1.384631 -0.000228
C -6.137602 0.212767 -0.166775
C 6.137604 0.212879 0.166838
C -5.191019 2.492156 0.306569
C 5.191038 2.492380 -0.306018
C -6.056476 -0.581119 1.005381
C -7.304866 0.141404 -0.965527
C 6.056411 -0.580806 -1.005449
C 7.304908 0.141377 0.965519
C -7.125435 -1.428758 1.369689
C -8.378724 -0.702514 -0.599873
C 7.125348 -1.428386 -1.369958
C 8.378744 -0.702481 0.599663
C -8.292197 -1.490272 0.570848
C 8.292153 -1.490037 -0.571190
H -2.525253 2.030610 -1.424267
H -2.598937 2.292856 0.345196
H 2.525233 2.030201 1.425061
H 2.598840 2.293151 -0.344302
H -5.141014 1.477211 -1.606518
H 5.141059 1.477038 1.606858
H -0.000043 2.527749 0.000489
H -3.147632 -0.384338 -2.149337
H -4.320560 -1.273326 -1.080368
H 4.320730 -1.273480 1.079817
H 3.147814 -0.384955 2.149187
H 0.000102 -2.477178 -0.000431
H -6.231249 2.848826 0.215395
H -4.525153 3.303548 -0.036263
H -4.989533 2.288270 1.373321
H 6.231276 2.849013 -0.214795
H 4.525195 3.303712 0.037003
H 4.989522 2.288723 -1.372808
H -5.140849 -0.540350 1.606018
H -7.373631 0.746311 -1.879158
H 5.140751 -0.539929 -1.606026
H 7.373721 0.746131 1.879248
H -7.048582 -2.043454 2.273827
H -9.275250 -0.750044 -1.228523
H 7.048447 -2.042928 -2.274197
H 9.275304 -0.750123 1.228257
H -9.120885 -2.148931 0.854372
H 9.120824 -2.148649 -0.854870


