%chk=000262651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262651

0 1
O 6.264155 -0.230397 0.479064
O -2.759549 -4.547774 0.823754
O 4.954047 -1.784565 1.475410
O -3.751056 -2.860407 -0.313750
N 0.355710 0.503773 0.079308
C -0.549118 1.567207 -0.464962
C 1.638875 1.028305 0.643113
C -0.343558 -0.401745 1.047686
C -0.925570 2.661306 0.572602
C 2.713655 -0.065061 0.509529
C -1.232937 -1.377319 0.258107
C 0.090439 2.186967 -1.712226
C -2.108362 3.464775 0.112292
C 4.081994 0.453214 0.961296
C -1.856066 -2.423454 1.186478
C -3.402644 2.926805 0.202195
C -1.931237 4.754536 -0.411703
C 5.078471 -0.671909 1.022153
C -2.894593 -3.228527 0.454474
C -4.503161 3.672674 -0.225996
C -3.036566 5.496677 -0.837025
C -4.323895 4.959082 -0.745521
C 7.391780 -1.160361 0.425441
C -3.667039 -5.530550 0.232380
C 7.195346 -2.142821 -0.710164
C -3.232599 -5.845228 -1.183860
H -1.494681 1.043285 -0.781702
H 1.547013 1.355287 1.700421
H 1.950575 1.924549 0.060479
H -0.948095 0.153483 1.797858
H 0.418658 -0.978063 1.618949
H -0.055801 3.317812 0.765178
H -1.153076 2.187012 1.549499
H 2.758592 -0.413243 -0.543361
H 2.431381 -0.961586 1.101151
H -0.631263 -1.871487 -0.533079
H -2.030246 -0.823209 -0.282747
H 0.368694 1.406691 -2.433006
H -0.611590 2.868613 -2.207368
H 0.998981 2.753229 -1.482672
H 4.445009 1.256144 0.283114
H 4.017852 0.916639 1.969696
H -1.074619 -3.092503 1.609906
H -2.342819 -1.940031 2.061174
H -3.550510 1.926125 0.603100
H -0.932863 5.178724 -0.489582
H -5.504257 3.249633 -0.155667
H -2.893264 6.497193 -1.241734
H -5.182553 5.537856 -1.077536
H 8.230872 -0.460903 0.257887
H 7.482404 -1.658337 1.407035
H -3.536638 -6.379312 0.928145
H -4.695980 -5.132601 0.282700
H 8.089511 -2.756123 -0.870520
H 6.966394 -1.629470 -1.652803
H 6.358431 -2.826970 -0.502046
H -3.799071 -6.685646 -1.601031
H -2.166502 -6.102118 -1.230791
H -3.387065 -4.980473 -1.847222


%chk=000262651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262651

0 1
O 6.306971 -0.266464 0.551612
O -2.836610 -4.716561 0.904472
O 4.820462 -1.959779 1.162950
O -3.605932 -3.102009 -0.596450
N 0.222939 0.565171 0.159426
C -0.651013 1.628284 -0.409766
C 1.551210 0.989746 0.652965
C -0.482325 -0.404658 1.026633
C -0.959597 2.788889 0.612271
C 2.632530 -0.087728 0.413725
C -1.223667 -1.493263 0.218012
C -0.096811 2.173189 -1.741749
C -2.084234 3.704907 0.161219
C 4.018232 0.367930 0.925424
C -1.957699 -2.491767 1.143017
C -3.432448 3.256645 0.194048
C -1.824222 5.011213 -0.328824
C 5.041755 -0.754692 0.897785
C -2.878784 -3.422768 0.373118
C -4.486285 4.085455 -0.249461
C -2.875399 5.845469 -0.773266
C -4.211882 5.385122 -0.736598
C 7.419513 -1.267882 0.503614
C -3.713811 -5.738180 0.249485
C 7.479751 -1.942021 -0.869860
C -2.999541 -6.377762 -0.944480
H -1.617970 1.136587 -0.635367
H 1.535717 1.251774 1.741593
H 1.846127 1.910017 0.115226
H -1.212955 0.100712 1.708921
H 0.261891 -0.893633 1.683530
H -0.034359 3.374758 0.773709
H -1.226668 2.322391 1.582160
H 2.674977 -0.310134 -0.668548
H 2.358932 -1.031226 0.921136
H -0.489364 -2.023184 -0.416108
H -1.960117 -1.032282 -0.465521
H 0.081463 1.339933 -2.442740
H -0.815322 2.876585 -2.197525
H 0.856984 2.716491 -1.601385
H 4.408190 1.225833 0.350978
H 3.927179 0.702845 1.980374
H -1.252204 -3.093769 1.740816
H -2.589677 -1.927072 1.860703
H -3.657402 2.252686 0.577373
H -0.789967 5.376616 -0.358880
H -5.519498 3.721304 -0.212896
H -2.652986 6.852647 -1.144369
H -5.028532 6.030513 -1.079073
H 8.318633 -0.665562 0.710422
H 7.260984 -2.008706 1.307100
H -3.908928 -6.465172 1.054109
H -4.653588 -5.248303 -0.061018
H 8.355831 -2.615306 -0.917808
H 7.576731 -1.191628 -1.673421
H 6.573193 -2.543917 -1.048749
H -3.624441 -7.188783 -1.362699
H -2.031408 -6.810573 -0.638646
H -2.824550 -5.633527 -1.739218


