%chk=000246808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246808

0 1
O -3.002505 0.687827 -0.230775
O -1.750403 1.103065 1.650719
N 2.391373 -1.095779 -0.281749
N -1.621638 2.467362 -0.250663
C 1.082800 0.987484 -0.042919
C 0.865399 2.404317 -0.580306
C 2.379527 0.370932 -0.595692
C -0.322640 3.114580 0.106351
C 3.270841 -1.855390 -1.217358
C 2.718603 -1.347494 1.160398
C -0.399112 4.585388 -0.311441
C 4.756768 -1.483043 -1.211304
C 2.296906 -2.762770 1.558773
C -2.752134 -1.713924 -0.383289
C -2.059899 1.383834 0.510645
C -3.483603 -0.569227 0.340837
C -3.532444 -3.015954 -0.172140
C -1.309538 -1.848083 0.103432
H 1.100999 0.991854 1.065995
H 0.224040 0.322256 -0.308416
H 0.716028 2.375836 -1.676286
H 1.779387 3.010418 -0.422130
H 3.264205 0.908935 -0.195243
H 2.407457 0.495351 -1.700297
H -0.207652 3.044073 1.224341
H 3.155454 -2.936169 -0.975381
H 2.853369 -1.724590 -2.240860
H 3.794450 -1.190375 1.390775
H 2.149441 -0.613907 1.776867
H -0.457086 4.713183 -1.397750
H 0.478787 5.139407 0.040075
H -1.284966 5.072477 0.120135
H -1.906010 2.511209 -1.228917
H 5.323566 -2.124762 -1.894394
H 5.197761 -1.598774 -0.214625
H 4.921205 -0.447288 -1.524639
H 2.349796 -2.895212 2.644224
H 2.930162 -3.526567 1.095336
H 1.262639 -2.963944 1.246802
H -2.736704 -1.471946 -1.476893
H -3.326469 -0.573613 1.434104
H -4.561108 -0.529796 0.106732
H -3.595145 -3.284408 0.888577
H -3.042585 -3.851799 -0.685516
H -4.553212 -2.948358 -0.562355
H -1.250704 -2.015418 1.184583
H -0.717527 -0.938446 -0.109213
H -0.790081 -2.676552 -0.389846


%chk=000246808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246808

0 1
O -3.123279 0.633164 -0.495301
O -1.987617 1.069189 1.538626
N 2.926905 -1.005371 -0.341196
N -1.431690 2.143524 -0.479764
C 1.321081 0.930725 -0.094575
C 1.059087 2.403675 -0.478303
C 2.719584 0.451277 -0.542435
C -0.303039 2.946075 0.034143
C 3.934188 -1.591978 -1.261748
C 3.095017 -1.376639 1.086696
C -0.500405 4.433686 -0.329721
C 5.411755 -1.152222 -1.054186
C 3.003563 -2.893454 1.339638
C -3.577915 -1.810217 -0.312686
C -2.149029 1.272413 0.306178
C -3.958574 -0.397490 0.172067
C -4.583227 -2.828256 0.279300
C -2.122538 -2.170599 0.060875
H 1.200058 0.818757 1.000301
H 0.565481 0.273144 -0.563566
H 1.105451 2.520583 -1.582468
H 1.859861 3.049175 -0.061721
H 3.499047 1.069029 -0.024325
H 2.827342 0.655203 -1.626897
H -0.338201 2.827983 1.132875
H 3.870926 -2.693256 -1.186346
H 3.622405 -1.335586 -2.292988
H 4.055587 -0.985438 1.511715
H 2.283296 -0.884158 1.651395
H -0.497998 4.579289 -1.427542
H 0.317731 5.045824 0.090716
H -1.458400 4.811590 0.067682
H -1.677938 2.195632 -1.469938
H 6.060755 -1.635196 -1.808573
H 5.786694 -1.440688 -0.055090
H 5.526313 -0.057862 -1.159683
H 3.001234 -3.095950 2.426498
H 3.854369 -3.446038 0.901554
H 2.069457 -3.294202 0.906934
H -3.672574 -1.823484 -1.417913
H -3.827346 -0.303566 1.266290
H -4.998274 -0.149848 -0.106375
H -4.526833 -2.840648 1.384799
H -4.358239 -3.848963 -0.079121
H -5.625018 -2.589624 -0.007361
H -1.977488 -2.133530 1.156751
H -1.402106 -1.470240 -0.397858
H -1.871661 -3.189235 -0.288049


