%chk=000213104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213104

0 1
O -1.260584 -1.113882 -1.008668
O 0.058126 1.562255 0.399060
O 0.305738 -1.380687 1.040976
O 3.356094 0.187025 0.064116
O -0.260490 0.160307 -2.572545
O 1.734747 2.034449 -1.047760
O -0.066290 -3.560694 0.510360
O 4.084451 2.047537 1.169663
N -3.854315 0.409787 0.852368
C -2.461609 0.527372 0.276469
C -2.443723 -0.254751 -1.059459
C -3.671380 -1.167560 -1.046871
C -4.609382 -0.601112 0.037978
C -2.206476 2.014953 0.115237
C -4.439904 1.804824 0.824725
C 1.491797 -1.247576 0.192922
C -3.308415 2.719946 0.410865
C 1.075191 -1.463184 -1.288251
C 1.999225 0.198519 0.588398
C -0.855232 2.496350 -0.277806
C -0.153308 -0.686217 -1.717989
C 2.522259 -2.286402 0.621860
C 1.295278 1.362864 -0.149768
C 2.218853 -1.150171 -2.248421
C 1.957278 0.429121 2.085858
C -0.395271 -2.574424 1.124244
C 4.284405 1.181861 0.360017
C -1.519759 -2.386522 2.076215
C 5.483618 0.919059 -0.480245
H -1.727423 0.079111 0.999171
H -2.385200 0.392152 -1.959918
H -3.367569 -2.208972 -0.819475
H -4.160892 -1.206124 -2.034029
H -5.532774 -0.185380 -0.410092
H -4.927962 -1.396791 0.745488
H -4.775729 2.028838 1.861597
H -5.318951 1.908510 0.159952
H -3.444003 3.787163 0.399208
H 0.802459 -2.560859 -1.378366
H -0.674902 2.441715 -1.373634
H -0.607900 3.504290 0.098807
H 3.504675 -2.085390 0.171367
H 2.656544 -2.292070 1.710833
H 2.217575 -3.305123 0.333828
H 3.074748 -1.814022 -2.086538
H 1.903910 -1.254407 -3.295726
H 2.576317 -0.112054 -2.130128
H 2.581731 -0.288113 2.630599
H 2.311289 1.437953 2.359027
H 0.922735 0.330353 2.458651
H -2.403143 -1.961338 1.559252
H -1.277233 -1.681435 2.887256
H -1.824852 -3.343814 2.523716
H 5.539288 1.657725 -1.299886
H 5.469240 -0.078863 -0.945969
H 6.407801 1.014495 0.110461


%chk=000213104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213104

0 1
O -1.326426 -1.168524 -0.940735
O 0.054757 1.420811 0.541345
O 0.448155 -1.545606 1.210483
O 3.487116 0.187067 0.098709
O -0.233624 0.276826 -2.400846
O 1.767839 2.042549 -0.908372
O 0.005196 -3.755716 0.536554
O 4.042374 2.291403 1.005591
N -4.166091 0.588087 0.556340
C -2.688999 0.540358 0.271541
C -2.552844 -0.329325 -1.017776
C -3.807299 -1.217710 -0.983389
C -4.888056 -0.248663 -0.446799
C -2.265369 2.002445 0.199878
C -4.594398 2.010532 0.698930
C 1.587477 -1.318611 0.250127
C -3.323303 2.812669 0.460104
C 1.066213 -1.488405 -1.238489
C 2.110642 0.142755 0.670765
C -0.859053 2.412290 -0.128070
C -0.186093 -0.676935 -1.588954
C 2.683629 -2.369978 0.544665
C 1.326737 1.305954 -0.005548
C 2.153927 -1.230960 -2.307016
C 2.129178 0.321799 2.205808
C -0.239471 -2.764463 1.259824
C 4.306810 1.327137 0.262174
C -1.318537 -2.696034 2.317995
C 5.535130 1.177196 -0.605953
H -2.123278 0.026875 1.074452
H -2.497612 0.289941 -1.930270
H -3.643904 -2.051481 -0.277076
H -4.063781 -1.640773 -1.968232
H -5.294980 0.373230 -1.280705
H -5.736583 -0.791016 0.008437
H -5.013694 2.215044 1.706042
H -5.390491 2.267691 -0.037348
H -3.297261 3.905672 0.509590
H 0.753706 -2.549903 -1.279652
H -0.645832 2.363205 -1.213023
H -0.610246 3.421267 0.242514
H 3.610034 -2.122906 0.008439
H 2.908604 -2.390765 1.624511
H 2.332561 -3.368792 0.244079
H 3.035639 -1.867870 -2.131217
H 1.748507 -1.471281 -3.305108
H 2.470576 -0.177112 -2.317770
H 2.768578 -0.448304 2.669179
H 2.528174 1.314061 2.460860
H 1.107750 0.221055 2.596652
H -2.185818 -2.138030 1.921055
H -0.962553 -2.162649 3.214019
H -1.642443 -3.714529 2.578972
H 5.267361 1.436484 -1.646494
H 5.901221 0.137951 -0.602332
H 6.320851 1.864584 -0.259459


