%chk=000267142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267142

0 1
O 3.754615 1.247505 1.682257
O 1.939035 -1.686582 -1.406700
O 0.441817 1.392327 -0.031008
O -3.112584 -0.693709 1.498538
O -4.945579 -1.372083 0.386351
O -4.013629 0.869720 0.094498
O -3.859636 -2.767129 1.886686
N 2.606830 -0.310345 0.365170
N -0.792455 0.498736 1.666164
C 4.527193 0.614405 -0.574488
C 3.968991 -0.287778 -1.524413
C 1.423182 -0.471336 1.213551
C 3.657724 0.643523 0.648471
C 2.712756 -0.884029 -0.959859
C 5.688260 1.306181 -0.843382
C 4.570135 -0.500657 -2.745985
C 0.346333 0.556072 0.844065
C 6.307516 1.089804 -2.097959
C 5.762686 0.209433 -3.025033
C -1.949805 1.348335 1.358398
C -3.145857 0.561368 0.849510
C -5.974844 -2.370391 0.042513
C -4.007677 -1.735895 1.291338
C -6.900786 -2.601460 1.212840
H 1.722290 -0.346869 2.285209
H 1.022776 -1.509158 1.088558
H 6.118104 2.000028 -0.119552
H 4.144527 -1.188966 -3.477630
H 7.226495 1.629932 -2.332158
H 6.253346 0.057559 -3.988008
H -0.974525 -0.276275 2.303545
H -1.669313 2.116526 0.580385
H -2.260610 1.914183 2.273096
H -5.462401 -3.286857 -0.296789
H -6.455634 -1.845704 -0.806996
H -7.758624 -3.224262 0.927832
H -6.388311 -3.113285 2.042845
H -7.297740 -1.657066 1.610438


%chk=000267142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267142

0 1
O 3.877505 1.145304 1.714651
O 1.948136 -1.543570 -1.630472
O 0.540334 1.478589 -0.006750
O -3.099689 -0.922630 1.812055
O -4.665441 -1.982499 0.541294
O -4.379807 0.912448 1.070059
O -4.530431 -2.460030 2.838612
N 2.667851 -0.288178 0.254354
N -0.779061 0.286608 1.494920
C 4.609364 0.646233 -0.619082
C 4.028853 -0.164188 -1.626117
C 1.512598 -0.512856 1.101398
C 3.739728 0.589102 0.598598
C 2.768534 -0.765672 -1.086165
C 5.806443 1.342830 -0.840714
C 4.626051 -0.304410 -2.887286
C 0.392357 0.515651 0.796724
C 6.417402 1.209685 -2.114811
C 5.836322 0.398638 -3.122499
C -1.943090 1.147221 1.307155
C -3.277468 0.417765 1.331393
C -5.873768 -2.867203 0.367605
C -4.192493 -1.852674 1.815566
C -7.149745 -2.094077 0.699322
H 1.830559 -0.407799 2.154797
H 1.137129 -1.538368 0.932329
H 6.244915 1.967210 -0.056104
H 4.167270 -0.931851 -3.657710
H 7.350894 1.742097 -2.326260
H 6.329932 0.317051 -4.096812
H -0.886558 -0.537623 2.089688
H -1.836904 1.669310 0.338337
H -2.000736 1.942859 2.079140
H -5.743481 -3.754554 1.011485
H -5.814968 -3.151076 -0.694003
H -8.028609 -2.721684 0.462797
H -7.192309 -1.834107 1.770230
H -7.213016 -1.167751 0.104574


