%chk=000213382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213382

0 1
O -0.311627 -0.375099 -0.740580
O -2.761938 -0.836400 0.377151
N 3.456031 -0.476035 0.510194
C 3.836665 -0.113494 1.917703
C 4.668539 -0.862399 -0.285395
C 4.811776 1.075442 1.903851
C 5.658159 0.313698 -0.334458
C 6.063263 0.753224 1.077924
C 2.438607 -1.580141 0.519007
C 1.735690 -1.683734 -0.843813
C 1.048047 -0.391471 -1.274124
C -0.550162 0.238885 0.458134
C -1.865140 0.061318 0.966427
C 0.356499 1.032364 1.171385
C -2.261858 0.674287 2.153407
C -0.047211 1.636112 2.366263
C -3.366058 -0.461063 -0.823626
C -1.342542 1.461188 2.858664
C -4.083027 -1.513658 -1.445301
C -3.318643 0.828596 -1.355178
C -4.761542 -1.218276 -2.629931
C -4.114668 -2.876858 -0.841955
C -4.008739 1.086387 -2.545439
C -4.726721 0.071739 -3.178735
H 4.286686 -0.964338 2.472772
H 2.908393 0.173852 2.458974
H 5.174764 -1.765949 0.117439
H 4.334879 -1.109739 -1.316430
H 5.088911 1.340851 2.939986
H 4.303448 1.963076 1.477069
H 5.191074 1.165029 -0.868796
H 6.548949 0.026177 -0.921353
H 6.724984 1.637414 1.027266
H 6.651333 -0.043350 1.571423
H 2.870987 -2.568249 0.786846
H 1.675336 -1.349104 1.297804
H 0.977077 -2.494736 -0.794204
H 2.459012 -1.987473 -1.626321
H 1.605705 0.514978 -0.977377
H 0.835323 -0.372251 -2.359875
H 1.373679 1.173243 0.795755
H -3.276931 0.524004 2.520021
H 0.662734 2.253408 2.916252
H -1.644044 1.936409 3.789003
H -2.754508 1.615014 -0.860787
H -5.324237 -2.001836 -3.135363
H -5.019701 -3.015443 -0.233421
H -4.095898 -3.666981 -1.602089
H -3.252451 -3.039662 -0.174059
H -3.981637 2.086797 -2.973821
H -5.262069 0.276945 -4.102189


%chk=000213382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213382

0 1
O -0.341407 -0.678653 -0.523322
O -2.877240 -0.632435 0.557016
N 3.396206 -0.572409 0.467167
C 3.774075 -0.444207 1.903493
C 4.606192 -0.586575 -0.398536
C 4.579094 0.845721 2.157275
C 5.444911 0.695592 -0.215702
C 5.840428 0.889124 1.265586
C 2.520312 -1.756552 0.249297
C 1.810133 -1.762780 -1.120783
C 0.878410 -0.566553 -1.360178
C -0.537593 0.171000 0.567643
C -1.866519 0.207239 1.087607
C 0.466742 0.951815 1.190013
C -2.171431 0.985465 2.218709
C 0.146879 1.743256 2.318127
C -3.347621 -0.422228 -0.766791
C -1.165313 1.761569 2.840714
C -4.103321 -1.493476 -1.315822
C -3.135418 0.782219 -1.470602
C -4.641444 -1.310712 -2.611487
C -4.303931 -2.770583 -0.526947
C -3.684594 0.932777 -2.763600
C -4.439521 -0.113455 -3.338920
H 4.381518 -1.326802 2.236201
H 2.844964 -0.439779 2.503600
H 5.243814 -1.480850 -0.165814
H 4.292127 -0.675763 -1.453710
H 4.854083 0.901569 3.228041
H 3.936996 1.720127 1.931266
H 4.848517 1.564719 -0.555838
H 6.345198 0.637217 -0.857336
H 6.381603 1.844325 1.402223
H 6.533398 0.077663 1.570625
H 3.095855 -2.710762 0.360547
H 1.750468 -1.754304 1.043811
H 1.212822 -2.690911 -1.201642
H 2.548841 -1.792863 -1.946128
H 1.397234 0.390194 -1.173238
H 0.498178 -0.579403 -2.396878
H 1.499967 0.906216 0.823059
H -3.199725 0.972193 2.593606
H 0.935876 2.337549 2.793137
H -1.407161 2.368350 3.719212
H -2.555234 1.590124 -1.012986
H -5.226453 -2.125418 -3.055488
H -4.860157 -2.579910 0.409595
H -4.860599 -3.517940 -1.118090
H -3.332528 -3.204694 -0.227846
H -3.524163 1.867154 -3.313230
H -4.868268 -0.000464 -4.340558


