%chk=000230391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230391

0 1
O -2.155812 -0.782487 1.593656
O -0.766397 0.365019 -1.547836
O -2.545624 1.858043 1.418482
O -4.747951 -0.435838 1.218228
O -6.417086 -0.098501 -0.636904
N 1.552105 -1.003812 -0.197250
N -0.659405 -3.315711 -1.276803
C -2.254780 -0.257616 0.261397
C -0.791979 -0.006040 -0.173414
C -3.044830 1.070599 0.340935
C 0.119549 -1.234993 0.119996
C -4.559312 0.833475 0.573471
C -5.367605 0.871906 -0.739148
C 2.277367 -0.269746 0.887577
C -0.311502 -2.399531 -0.666679
C 3.607642 0.214599 0.363128
C 4.529952 -0.703149 -0.161887
C 3.930145 1.578033 0.411040
C 5.767237 -0.257603 -0.632882
C 5.171702 2.017693 -0.058061
C 6.090928 1.102440 -0.579924
H -2.761219 -0.996516 -0.395470
H -0.386744 0.908437 0.331525
H -2.858415 1.715427 -0.551588
H -0.001101 -1.496508 1.219400
H -4.932161 1.573647 1.323106
H 1.642804 -0.502791 -1.093216
H -4.791457 0.516201 -1.616272
H -5.776165 1.872690 -0.955430
H 1.690233 0.573249 1.315567
H 2.447526 -0.990765 1.724165
H -3.070296 -1.074497 1.894380
H -0.985699 -0.391304 -2.136479
H -2.384602 1.275052 2.211357
H -5.264670 -1.057779 0.627197
H -7.121471 0.222119 -0.026407
H 4.271478 -1.762162 -0.207020
H 3.219587 2.298389 0.811578
H 6.480690 -0.971509 -1.041715
H 5.421293 3.076706 -0.017834
H 7.056246 1.447332 -0.945267


%chk=000230391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230391

0 1
O -2.089915 -0.714023 1.595527
O -1.035136 0.612256 -1.732364
O -2.751417 1.938207 1.388720
O -4.708357 -0.523740 1.571807
O -6.771323 -0.438555 -0.189995
N 1.527351 -0.491709 -0.453664
N -0.579598 -2.962393 -1.696988
C -2.304820 -0.184068 0.236627
C -0.925122 0.213142 -0.321629
C -3.252969 1.041358 0.342623
C 0.153900 -0.910188 -0.137547
C -4.712904 0.621748 0.629531
C -5.502656 0.191887 -0.622433
C 2.243227 0.245046 0.611396
C -0.230856 -2.071779 -0.982873
C 3.726918 0.393891 0.287690
C 4.452101 -0.681693 -0.285325
C 4.407057 1.600065 0.586162
C 5.834308 -0.554209 -0.545059
C 5.791993 1.728164 0.330718
C 6.510242 0.650090 -0.235286
H -2.756402 -0.963238 -0.415297
H -0.568251 1.121321 0.193741
H -3.214490 1.627372 -0.594136
H 0.104627 -1.230611 0.920647
H -5.215406 1.481710 1.119663
H 1.593557 -0.037567 -1.374055
H -4.976185 -0.604759 -1.173592
H -5.680954 1.050777 -1.297777
H 1.817661 1.255337 0.820743
H 2.125957 -0.342570 1.545383
H -3.010535 -0.979156 1.908271
H -1.259786 -0.190836 -2.275526
H -2.428496 1.340146 2.120178
H -5.592253 -0.973481 1.476424
H -7.442502 0.262034 0.009317
H 3.915348 -1.604209 -0.531467
H 3.852628 2.442988 1.018081
H 6.384931 -1.392061 -0.987967
H 6.305946 2.667061 0.566052
H 7.582783 0.748442 -0.437624


