%chk=000249400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249400

0 1
O 3.846792 -1.107437 -2.675869
O -0.989555 -1.637940 -1.743792
O -3.785600 2.154829 2.719278
O -2.484776 0.361734 2.449478
N -0.745359 -0.951469 0.453400
C 3.382927 -0.145194 0.719588
C 2.829493 -0.621434 -0.509687
C 4.834347 0.049831 0.539785
C 5.176431 -0.305037 -0.802973
C 3.937523 -0.743672 -1.533588
C 1.490269 -0.897808 -0.646715
C 2.566722 0.053754 1.818552
C 0.656433 -0.690741 0.488642
C 5.808129 0.488215 1.419033
C 1.192515 -0.220390 1.699367
C 6.477895 -0.220408 -1.253871
C -2.941434 -1.573246 -0.346063
C -3.803175 -0.467707 -0.274704
C 7.137960 0.573115 0.952815
C 7.469363 0.227497 -0.353804
C -1.480699 -1.399265 -0.659885
C -3.311111 0.909364 -0.524067
C -5.162513 -0.668020 0.008633
C -3.434620 -2.868382 -0.146968
C -2.996038 1.783769 0.532336
C -3.184769 1.358645 -1.846554
C -5.651110 -1.961081 0.213126
C -4.790198 -3.060699 0.133054
C -2.600438 3.103574 0.265850
C -2.768038 2.666309 -2.108618
C -2.484658 3.541868 -1.054431
C -3.032822 1.316884 1.936794
H 1.075590 -1.264655 -1.595505
H 2.968792 0.414764 2.763175
H 5.566485 0.761155 2.442385
H 0.545774 -0.064545 2.563401
H 6.735444 -0.492280 -2.278085
H -1.268014 -0.740596 1.328314
H 7.914960 0.916859 1.636361
H 8.501291 0.299940 -0.692931
H -5.836464 0.187092 0.064456
H -2.760360 -3.724293 -0.215721
H -3.404835 0.676664 -2.671296
H -6.708131 -2.112399 0.433483
H -5.175053 -4.068428 0.287725
H -2.383960 3.781810 1.093754
H -2.663299 3.004425 -3.141251
H -2.169661 4.564251 -1.263055
H -3.814446 1.863378 3.673751


%chk=000249400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249400

0 1
O 3.996022 -1.476115 -2.595387
O -0.955204 -2.200723 -1.705683
O -3.370038 2.295479 2.992944
O -2.443606 0.249460 2.440200
N -0.777892 -0.945375 0.286883
C 3.364454 -0.063661 0.663603
C 2.873202 -0.701461 -0.514670
C 4.831626 0.124527 0.528404
C 5.238636 -0.397773 -0.737376
C 4.029811 -0.939519 -1.454613
C 1.523118 -1.023684 -0.697134
C 2.466372 0.263955 1.694507
C 0.613601 -0.685910 0.351589
C 5.785372 0.690822 1.393036
C 1.097149 -0.048376 1.531567
C 6.577320 -0.364259 -1.154065
C -2.969775 -1.683422 -0.435735
C -3.742781 -0.517048 -0.174794
C 7.143389 0.726452 0.975500
C 7.539843 0.207021 -0.281112
C -1.483055 -1.627596 -0.703902
C -3.223369 0.878872 -0.396765
C -5.116839 -0.666694 0.149477
C -3.586431 -2.958433 -0.427990
C -3.020690 1.819567 0.658832
C -3.090681 1.336552 -1.731694
C -5.716317 -1.943574 0.198676
C -4.953285 -3.093716 -0.108591
C -2.761201 3.185893 0.371465
C -2.788159 2.686729 -2.015282
C -2.644476 3.620652 -0.963149
C -2.927919 1.354572 2.065203
H 1.169061 -1.523201 -1.601099
H 2.805744 0.750671 2.615187
H 5.500314 1.097697 2.369526
H 0.385705 0.195057 2.329957
H 6.861268 -0.772112 -2.129901
H -1.340756 -0.619775 1.093338
H 7.898635 1.163702 1.638594
H 8.593634 0.247292 -0.576716
H -5.720194 0.229187 0.335590
H -2.976112 -3.835424 -0.666628
H -3.243432 0.624821 -2.549642
H -6.777681 -2.037337 0.453177
H -5.418127 -4.085202 -0.095460
H -2.627844 3.886240 1.201247
H -2.682112 3.010878 -3.056087
H -2.430530 4.671881 -1.181220
H -3.221770 1.945013 3.913299


