%chk=000266189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266189

0 1
O -2.341283 -1.559856 -0.208586
O 2.341274 1.559402 0.207338
O 0.194447 -2.677424 0.080056
O -0.194479 2.676987 -0.081164
N -2.471621 1.363894 -0.048362
N 2.471596 -1.364332 0.047122
C -1.334921 0.603848 -0.033941
C 1.334894 -0.604288 0.032738
C -1.216864 -0.765922 -0.039733
C 1.216838 0.765481 0.038525
C 0.053929 -1.470686 0.019931
C -0.053958 1.470247 -0.021080
C -3.834741 0.910812 -0.142014
C 3.834716 -0.911244 0.140732
C -6.537667 0.214503 -0.356009
C 6.537644 -0.214914 0.354637
C -7.989859 -0.164575 -0.468352
C 7.989836 0.164177 0.466930
C -4.236725 -0.027688 -1.106698
C 4.777784 -1.503457 -0.719055
C -4.777829 1.503013 0.717758
C 4.236721 0.027281 1.105384
C -5.584711 -0.371860 -1.203867
C 6.122365 -1.150637 -0.605965
C -6.122408 1.150203 0.604625
C 5.584708 0.371463 1.202508
C -8.316535 -1.358293 0.428581
C 8.316459 1.357933 -0.429971
C -2.702119 -2.334657 0.970652
C 2.702027 2.334273 -0.971879
H -2.343531 2.388836 0.006981
H 2.343505 -2.389276 -0.008185
H -8.246357 -0.403777 -1.521266
H -8.636947 0.696054 -0.200554
H 8.636924 -0.696433 0.199073
H 8.246375 0.403342 1.519844
H -3.495933 -0.500979 -1.757469
H 4.466497 -2.225761 -1.471739
H -4.466559 2.225300 1.470465
H 3.495945 0.500583 1.756164
H -5.896509 -1.105295 -1.947067
H 6.853588 -1.604201 -1.273844
H -6.853646 1.603757 1.272493
H 5.896522 1.104918 1.945682
H -8.108506 -1.136954 1.482328
H -9.373101 -1.636932 0.349329
H -7.719427 -2.237670 0.157993
H 7.719353 2.237293 -0.159323
H 9.373026 1.636580 -0.350757
H 8.108384 1.136632 -1.483717
H -1.915880 -3.068099 1.179448
H -3.625039 -2.823119 0.640960
H -2.880420 -1.672284 1.819091
H 1.915776 3.067731 -1.180578
H 2.880269 1.671950 -1.820370
H 3.624971 2.822715 -0.642222


%chk=000266189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266189

0 1
O -2.163545 -1.905509 -0.014877
O 2.162892 1.909192 0.010216
O 0.577264 -2.650491 -0.331259
O -0.577689 2.653893 0.327183
N -2.598102 1.048619 0.196180
N 2.597483 -1.045831 -0.199760
C -1.395220 0.396917 0.094077
C 1.394830 -0.393558 -0.098074
C -1.114189 -0.969647 0.004829
C 1.113768 0.973074 -0.009041
C 0.253075 -1.413435 -0.152469
C -0.253547 1.416921 0.147715
C -3.959178 0.700919 -0.009023
C 3.958830 -0.699904 0.006922
C -6.758437 0.279067 -0.442058
C 6.758505 -0.282728 0.442176
C -8.244649 0.020662 -0.635351
C 8.244962 -0.026685 0.636734
C -4.401659 -0.361318 -0.841924
C 4.924355 -1.558229 -0.591280
C -4.925485 1.559903 0.586953
C 4.402336 0.359100 0.843419
C -5.782205 -0.559035 -1.041373
C 6.298721 -1.346699 -0.376668
C -6.299663 1.346111 0.373366
C 5.783059 0.554570 1.043882
C -8.815258 -0.962854 0.422747
C 8.817040 0.959553 -0.418032
C -2.069713 -3.030370 0.943336
C 2.068789 3.033588 -0.948519
H -2.415446 2.056812 0.384084
H 2.414169 -2.053597 -0.389274
H -8.426266 -0.394516 -1.645235
H -8.803155 0.974556 -0.576476
H 8.802369 -0.981039 0.574961
H 8.426765 0.385037 1.647999
H -3.675330 -1.025579 -1.312002
H 4.589638 -2.385159 -1.229711
H -4.591529 2.389159 1.222759
H 3.676693 1.022593 1.315583
H -6.108106 -1.379761 -1.692347
H 7.025617 -2.018634 -0.848825
H -7.027212 2.018634 0.843676
H 6.109720 1.372785 1.697632
H -8.678069 -0.565170 1.444619
H -9.895468 -1.132804 0.260129
H -8.300389 -1.939220 0.370929
H 8.303304 1.936352 -0.363231
H 9.897401 1.127710 -0.254551
H 8.679691 0.565315 -1.441218
H -1.225045 -3.687273 0.680316
H -3.028655 -3.561704 0.844170
H -1.954876 -2.647990 1.975580
H 1.223965 3.690407 -0.685797
H 1.954034 2.650692 -1.980579
H 3.027609 3.565195 -0.849614


