%chk=000257768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257768

0 1
O 8.519247 2.780669 0.749856
O -8.325075 0.999001 -2.944275
O 10.721255 0.022271 -1.707429
O -10.568637 1.843623 0.625802
O 12.309126 1.585158 -1.485742
O -12.108735 2.475579 -0.871468
N 2.341483 -0.957620 0.923274
N -2.276725 -1.198781 0.335540
N 2.344871 -3.597360 2.479056
N -2.395633 -3.854002 1.860115
N 3.494221 -1.263346 1.327742
N -3.446280 -1.663632 0.379391
N 8.678925 1.634834 -1.217879
N -8.484528 2.148518 -0.978654
C 1.237293 -1.780184 1.233117
C -1.206002 -1.910153 0.918073
C 1.206212 -3.031800 1.963508
C -1.229578 -3.163856 1.645159
C 0.028344 -1.263283 0.737073
C -0.024635 -3.691588 2.149737
C 6.848109 1.105039 0.313472
C -6.701396 0.496434 -1.240759
C 4.578861 -0.385297 0.950357
C -4.494388 -0.866806 -0.217577
C 5.834181 0.939946 -0.639240
C -5.675448 1.209798 -0.607105
C 6.717977 0.542734 1.593352
C -6.613998 -0.897662 -1.382400
C 4.696845 0.195735 -0.324874
C 5.590076 -0.209542 1.914708
C -4.569126 0.532105 -0.094282
C -5.517498 -1.585105 -0.866197
C 8.070101 1.913343 0.022299
C -7.890665 1.188390 -1.822339
C 9.955886 2.279390 -1.553734
C -9.733268 2.800157 -1.396881
C 11.134108 1.327878 -1.558212
C -10.941539 2.372715 -0.590067
H 0.049123 -0.310907 0.183012
H -0.045100 -4.629840 2.695520
H 5.922101 1.403771 -1.623136
H -5.729510 2.296684 -0.525419
H 7.501325 0.705462 2.338076
H -7.405643 -1.438968 -1.906816
H 3.898590 0.070326 -1.057599
H 5.483279 -0.651429 2.905305
H -3.761586 1.080915 0.392042
H -5.443999 -2.667599 -0.969909
H 2.309721 -4.466219 2.982648
H 3.255991 -3.163447 2.377687
H -3.290055 -3.521923 1.515978
H -2.398383 -4.721739 2.366848
H 8.469284 0.777959 -1.728901
H -8.293389 2.162493 0.022654
H 10.169045 3.114491 -0.824232
H 9.882347 2.758668 -2.562705
H -9.932944 2.585420 -2.487306
H -9.625031 3.911204 -1.313197
H 11.481191 -0.621000 -1.710718
H -11.348926 1.553679 1.172052


%chk=000257768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257768

0 1
O 9.407571 0.716893 0.738405
O -9.284155 0.027030 -1.135995
O 7.932097 3.909201 -2.582079
O -7.635232 4.424014 -2.291650
O 10.138830 4.645976 -2.557051
O -9.821938 4.840593 -2.968456
N 2.378601 -1.490967 1.106042
N -2.334482 -1.618067 0.712291
N 2.400088 -4.047222 2.598566
N -2.465281 -4.184406 2.180836
N 3.555728 -1.960735 1.499657
N -3.533426 -2.153946 0.903990
N 8.256641 2.070877 -0.738599
N -8.057197 1.932351 -1.586556
C 1.244627 -2.243482 1.431357
C -1.231323 -2.311362 1.222487
C 1.213268 -3.516158 2.168029
C -1.254083 -3.585311 1.957220
C 0.019048 -1.696845 0.991219
C -0.033064 -4.144663 2.405429
C 7.017592 0.323717 0.484577
C -6.900766 -0.029700 -0.639054
C 4.669866 -1.148921 1.131482
C -4.613995 -1.396339 0.361161
C 5.733663 0.790225 0.082404
C -5.594103 0.501506 -0.834682
C 7.105541 -0.882209 1.226997
C -7.042651 -1.261117 0.051294
C 4.571503 0.068557 0.398406
C 5.948363 -1.612913 1.544360
C -4.461665 -0.167778 -0.343711
C -5.915451 -1.936050 0.548876
C 8.305756 1.039536 0.183702
C -8.159576 0.628019 -1.133864
C 9.473711 2.809220 -1.065505
C -9.244657 2.620127 -2.086874
C 9.261265 3.875857 -2.122536
C -8.976588 4.054672 -2.499715
H 0.039330 -0.749992 0.443744
H -0.053564 -5.094484 2.954641
H 5.622849 1.736941 -0.460326
H -5.442982 1.431535 -1.396309
H 8.098440 -1.217166 1.543206
H -8.052709 -1.663339 0.177803
H 3.581029 0.421132 0.098156
H 6.011469 -2.546622 2.113087
H -3.454003 0.229403 -0.493138
H -6.019661 -2.884282 1.086689
H 2.425595 -4.926022 3.113470
H 3.248792 -3.484807 2.358239
H -3.290949 -3.667341 1.799718
H -2.529037 -5.067663 2.684714
H 7.409016 2.309539 -1.253886
H -7.190285 2.467886 -1.534915
H 10.269772 2.124734 -1.420841
H 9.897611 3.296227 -0.165348
H -10.050625 2.624522 -1.326100
H -9.676766 2.086602 -2.956290
H 7.832684 4.614913 -3.275766
H -7.498731 5.369402 -2.568605


