%chk=000201617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201617

0 1
O 5.828857 -1.429616 0.392956
O -0.232307 -0.164128 -2.359953
O -1.059179 1.893692 -2.475954
N 3.396578 -0.099043 -0.287782
C -0.265498 1.036862 -0.268786
C -0.909057 2.311764 0.397577
C 1.276067 1.117170 -0.135952
C -0.881952 -0.218646 0.354144
C 2.057244 0.062666 -0.942045
C -0.689647 2.309211 1.925211
C -0.393653 3.614718 -0.218793
C -0.579820 1.033753 -1.772165
C -2.265806 -0.571908 0.121873
C 4.493699 -0.254881 -1.297642
C 3.402044 -1.271367 0.647793
C -0.117006 -1.029647 1.164128
C -1.649468 3.257459 2.640820
C -2.762335 -1.790546 0.661401
C 5.834071 -0.336115 -0.548047
C 4.762851 -1.317874 1.358749
C -0.630847 -2.230732 1.727316
C -3.184665 0.243018 -0.616283
C -1.918741 -2.616274 1.470188
C -4.114041 -2.190819 0.407363
C -4.478088 -0.155526 -0.842894
C -4.951218 -1.398105 -0.334378
H -2.013312 2.259201 0.201055
H 1.621140 2.128873 -0.442123
H 1.551240 1.054357 0.938521
H 2.170602 0.409818 -1.991253
H 1.482384 -0.888780 -1.013685
H -0.827599 1.287604 2.333170
H 0.355632 2.590131 2.158221
H -0.827034 4.484209 0.289689
H 0.696550 3.708397 -0.150671
H -0.668553 3.695515 -1.281495
H 4.367512 -1.151411 -1.941755
H 4.489246 0.635997 -1.961015
H 2.580324 -1.131099 1.388616
H 3.214965 -2.238446 0.131972
H 0.925897 -0.780950 1.397408
H -1.534986 4.291217 2.293803
H -1.472006 3.253416 3.722375
H -2.695575 2.970985 2.480240
H 6.055810 0.600431 -0.006505
H 6.671025 -0.603334 -1.216060
H 4.891469 -2.233816 1.960733
H 4.933291 -0.420559 1.979194
H 0.022675 -2.834716 2.355003
H -2.861480 1.220778 -0.986738
H -2.322168 -3.542600 1.875940
H -0.467860 -0.191748 -3.326680
H -4.460936 -3.138432 0.817752
H -5.161978 0.474860 -1.410387
H -5.978157 -1.696485 -0.537668


%chk=000201617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201617

0 1
O 6.116531 -1.174760 0.316913
O -0.372396 -0.132481 -2.448220
O -0.844063 2.121629 -2.436332
N 3.517065 -0.078198 -0.406787
C -0.293671 0.972719 -0.267611
C -0.891225 2.259210 0.477972
C 1.274098 0.974048 -0.096483
C -0.973778 -0.313925 0.281914
C 2.095064 -0.103584 -0.845691
C -0.968620 2.053950 2.018935
C -0.152420 3.581242 0.142527
C -0.548191 1.091405 -1.786882
C -2.369398 -0.620077 0.006187
C 4.432423 -0.649829 -1.430490
C 3.737977 -0.755427 0.897385
C -0.267486 -1.170528 1.136729
C -1.664526 3.219212 2.757348
C -2.964626 -1.806262 0.602117
C 5.892487 -0.500896 -0.973670
C 5.207378 -0.610972 1.327351
C -0.856383 -2.329535 1.724271
C -3.221259 0.187378 -0.826363
C -2.184043 -2.648963 1.457890
C -4.337612 -2.129730 0.339225
C -4.555703 -0.150072 -1.062575
C -5.126647 -1.321489 -0.477696
H -1.933548 2.366547 0.116898
H 1.653801 1.953328 -0.431213
H 1.489175 0.925468 0.986777
H 2.080607 0.118593 -1.927049
H 1.642340 -1.115376 -0.732151
H -1.517524 1.121637 2.241852
H 0.054038 1.922566 2.429874
H -0.776242 4.440881 0.444514
H 0.805953 3.663379 0.687821
H 0.035789 3.679735 -0.937854
H 4.218956 -1.732805 -1.617033
H 4.288801 -0.104279 -2.382454
H 3.096111 -0.293257 1.671046
H 3.478145 -1.843719 0.838119
H 0.773321 -0.954387 1.386796
H -1.086962 4.158142 2.693589
H -1.791454 2.977437 3.828622
H -2.669836 3.409602 2.335152
H 6.143646 0.577822 -0.880333
H 6.584474 -0.984383 -1.683007
H 5.409277 -1.175619 2.252794
H 5.442224 0.464044 1.484815
H -0.251891 -2.962276 2.383132
H -2.836788 1.094932 -1.297534
H -2.650009 -3.538372 1.898090
H -0.555488 0.002210 -3.418583
H -4.756951 -3.032251 0.800096
H -5.170591 0.491571 -1.703321
H -6.174150 -1.576740 -0.670914


