%chk=000251561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251561

0 1
O 4.825375 -0.931754 0.493418
O 2.173302 2.827836 -0.673464
O 3.865163 3.137283 0.783463
N 0.061354 -1.928240 -0.170653
N -2.181514 1.104771 -0.428526
C 2.450096 -1.436337 0.070704
C 2.239166 0.007093 -0.464929
C -0.209231 -0.543246 -0.713913
C 0.808573 0.436109 -0.093587
C 1.427406 -2.389943 -0.577144
C 3.895463 -1.880778 -0.174249
C -1.627679 -0.192007 -0.375542
C -0.996460 -2.912121 -0.578841
C -2.614897 -1.107281 -0.031919
C -2.328799 -2.555062 0.118430
C 3.315274 0.900036 0.095416
C -3.842547 -0.380403 0.156658
C 4.278300 -3.204596 0.459742
C 4.482449 0.370039 0.545722
C -3.543578 1.006016 -0.091397
C 3.182886 2.355376 0.150853
C -5.155606 -0.743517 0.505169
C -4.528610 2.008907 0.005352
C -6.119942 0.246275 0.598449
C -5.807607 1.608310 0.350969
C 1.996630 4.269651 -0.697442
H 2.260011 -1.426561 1.177894
H 2.337788 0.016314 -1.580861
H -0.105111 -0.514371 -1.835432
H 0.615044 1.466297 -0.452995
H 0.685685 0.462854 1.007688
H 1.572224 -2.436699 -1.676986
H 1.572273 -3.419889 -0.183544
H 4.179828 -1.829844 -1.247836
H -0.674867 -3.924380 -0.254579
H -1.147812 -2.950461 -1.678727
H -2.262629 -2.801359 1.201335
H -3.148797 -3.171906 -0.296737
H -1.679135 1.949153 -0.613755
H 3.945231 -4.055338 -0.144809
H 5.371608 -3.280142 0.569055
H 3.857651 -3.319372 1.468033
H 5.306906 0.925759 1.006572
H -5.394533 -1.786648 0.696627
H -4.287305 3.048761 -0.183195
H -7.141704 -0.011900 0.867369
H -6.601764 2.348443 0.438907
H 1.356202 4.420790 -1.571012
H 2.965389 4.770298 -0.809575
H 1.512448 4.581083 0.232724


%chk=000251561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251561

0 1
O 4.787772 -0.934105 0.730148
O 2.260663 2.904740 -0.722746
O 4.075533 3.202130 0.709222
N 0.044128 -1.947467 -0.190992
N -2.239111 1.046719 -0.392594
C 2.440261 -1.422961 0.120850
C 2.209103 0.035540 -0.376225
C -0.234733 -0.553642 -0.646426
C 0.761748 0.435822 0.008286
C 1.416837 -2.369665 -0.541257
C 3.904426 -1.843651 -0.092012
C -1.676748 -0.240198 -0.346301
C -0.999759 -2.918942 -0.614623
C -2.659627 -1.165807 -0.011381
C -2.342915 -2.635579 0.100433
C 3.305734 0.939908 0.178337
C -3.896192 -0.431699 0.172645
C 4.267990 -3.257509 0.355730
C 4.448213 0.401070 0.724356
C -3.602396 0.959829 -0.075928
C 3.279676 2.416364 0.128582
C -5.223616 -0.800323 0.516234
C -4.586644 1.966918 0.011480
C -6.210852 0.201649 0.604735
C -5.896429 1.570376 0.355725
C 2.235616 4.377925 -0.873369
H 2.246595 -1.447594 1.212786
H 2.260094 0.040110 -1.488552
H -0.074680 -0.483016 -1.761589
H 0.565804 1.461471 -0.346813
H 0.632427 0.413291 1.105980
H 1.587481 -2.386330 -1.652724
H 1.555650 -3.400919 -0.169606
H 4.205400 -1.674806 -1.147499
H -0.642023 -3.933237 -0.357889
H -1.158943 -2.888580 -1.723039
H -2.263749 -2.940788 1.162711
H -3.139034 -3.255009 -0.358174
H -1.729111 1.905384 -0.586768
H 3.829195 -4.007621 -0.325090
H 5.363847 -3.384657 0.345227
H 3.904369 -3.451871 1.380042
H 5.216678 1.023027 1.193417
H -5.477908 -1.848274 0.712536
H -4.350659 3.020255 -0.178867
H -7.239025 -0.069741 0.869665
H -6.686048 2.326297 0.433193
H 1.408618 4.576659 -1.570703
H 3.194008 4.737956 -1.283902
H 2.061931 4.863847 0.101647


