%chk=000268072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268072

0 1
O 0.653696 0.669510 -2.051161
O -1.489722 0.021700 -1.513375
O -0.510520 -2.562893 -0.602623
O 3.418612 0.455599 0.191005
O -2.593721 -1.053872 1.885188
O -0.977519 2.574370 1.494128
O 1.539393 -2.726029 0.340159
O 3.092462 0.652783 2.420776
O -4.189111 0.209684 0.888841
N 0.518335 2.755512 -0.226323
C 0.708575 0.291975 -0.657546
C -0.739442 -0.108386 -0.294807
C -0.605592 0.242876 -2.639927
C 1.214541 1.507182 0.155808
C -0.889715 -1.504276 0.329820
C 2.730490 1.707658 -0.056239
C -0.394547 -1.050038 -3.404222
C -1.166103 1.401171 -3.440869
C -2.357747 -1.810218 0.670640
C -0.621895 3.167395 0.485481
C 0.741262 -3.126432 -0.477223
C -1.314102 4.380510 -0.059056
C 3.517044 -0.000437 1.499406
C -3.450860 0.045276 1.826790
C 0.883241 -4.216372 -1.476996
C 4.169394 -1.332121 1.484450
C -3.244266 0.857988 3.048131
H 1.437655 -0.550026 -0.588964
H -1.231994 0.625734 0.400780
H 1.031087 1.306564 1.256954
H -0.248270 -1.577981 1.245866
H 2.996781 1.901657 -1.112205
H 3.134792 2.489517 0.610428
H 0.600868 -1.076798 -3.862991
H -1.141195 -1.187605 -4.193557
H -0.483216 -1.914164 -2.725612
H -2.200019 1.193855 -3.750889
H -0.566443 1.594954 -4.337706
H -1.189374 2.320038 -2.843076
H -2.516731 -2.864397 0.949780
H -3.058084 -1.509423 -0.135345
H 0.641265 3.028522 -1.202201
H -0.626709 5.151725 -0.428741
H -1.932002 4.846792 0.727385
H -2.000831 4.113432 -0.876404
H -0.060196 -4.434333 -2.005046
H 1.221200 -5.148752 -0.995187
H 1.637517 -3.954518 -2.237717
H 3.415617 -2.121459 1.270824
H 4.625876 -1.565789 2.457125
H 4.937188 -1.419113 0.701401
H -4.174356 1.340672 3.378244
H -2.506943 1.666843 2.834105
H -2.828865 0.276539 3.885595


%chk=000268072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268072

0 1
O 0.528451 0.961886 -2.257928
O -1.481398 -0.252681 -2.010202
O -0.641676 -2.590029 -0.564845
O 3.388355 0.449658 -0.021939
O -2.770672 -0.922698 1.895356
O -0.636153 2.433714 2.103509
O 1.393719 -2.653184 0.585558
O 3.517519 0.766907 2.288254
O -3.656122 0.965028 0.833958
N 0.301406 2.617994 -0.019052
C 0.585201 0.329391 -0.915694
C -0.880568 -0.099352 -0.666678
C -0.493380 0.213595 -3.028896
C 1.095941 1.387368 0.083657
C -1.071547 -1.368293 0.180124
C 2.594672 1.700641 -0.133572
C 0.130275 -1.003673 -3.727717
C -1.185479 1.191432 -3.973869
C -2.543432 -1.592488 0.585286
C -0.553651 3.041676 0.990038
C 0.592839 -3.162443 -0.232407
C -1.411359 4.255595 0.661183
C 3.757596 0.061658 1.285084
C -3.306414 0.382885 1.886140
C 0.787173 -4.461556 -0.980023
C 4.426123 -1.290372 1.259447
C -3.331308 0.953077 3.279673
H 1.281053 -0.528722 -0.927831
H -1.429514 0.710443 -0.151081
H 0.962240 1.010704 1.115292
H -0.459101 -1.287401 1.100047
H 2.789125 2.055606 -1.158432
H 2.937701 2.431368 0.618298
H 0.850899 -0.675433 -4.496777
H -0.662332 -1.603163 -4.207107
H 0.653570 -1.645165 -2.999157
H -1.979369 0.672888 -4.537146
H -0.458695 1.613015 -4.689625
H -1.643452 2.008588 -3.393454
H -2.725701 -2.660302 0.778143
H -3.245287 -1.198823 -0.168910
H 0.234768 3.038012 -0.949343
H -1.103805 4.771304 -0.264565
H -1.369334 4.967670 1.501770
H -2.460820 3.925216 0.555856
H 0.309840 -4.419701 -1.971297
H 0.313425 -5.283058 -0.411866
H 1.861139 -4.681471 -1.074443
H 3.640612 -2.065165 1.182167
H 4.994694 -1.442491 2.188739
H 5.086086 -1.386279 0.382368
H -4.211498 1.603729 3.402763
H -2.422416 1.575672 3.392790
H -3.323138 0.159826 4.041460


