%chk=000111962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111962

0 1
O 2.558670 -1.000115 0.323020
O -2.142873 -1.716629 0.325167
O -0.412254 2.713603 0.326476
O 0.091620 -3.443103 -0.826639
O 2.700123 2.167761 1.287808
O -3.026405 1.643029 -0.821784
O 0.530306 -3.422978 1.286777
O 2.936233 1.799651 -0.825988
O -3.226033 1.250817 1.291436
N 0.265289 -2.873775 0.241671
N 2.356720 1.664469 0.242404
N -2.619056 1.206770 0.245609
C 3.284598 -1.865392 -0.710994
C -3.257383 -1.911534 -0.706686
C -0.027079 3.775633 -0.707407
C 1.296726 -0.575090 0.231857
C -1.144145 -0.835999 0.233146
C -0.149671 1.408253 0.233620
C 0.159481 -1.405478 0.225391
C 1.138094 0.838609 0.225813
C -1.294703 0.564083 0.227190
C 3.311986 -3.259075 -0.121590
C 4.626730 -1.152357 -0.680193
C 2.574714 -1.748546 -2.042354
C -4.476686 -1.238400 -0.114524
C -3.311352 -3.430384 -0.676714
C -2.803617 -1.354593 -2.038616
C 0.225455 3.103184 -2.039374
C -1.315675 4.581269 -0.674901
C 1.166728 4.495850 -0.118699
H 2.585651 -3.944842 -0.580008
H 4.297678 -3.730825 -0.226073
H 3.093556 -3.241482 0.961071
H 5.057455 -1.145626 0.331941
H 4.530251 -0.094723 -0.979276
H 5.351144 -1.624578 -1.352479
H 2.438686 -0.701012 -2.348244
H 3.158917 -2.234189 -2.837536
H 1.585942 -2.233732 -2.055083
H -4.349689 -1.057709 0.967804
H -5.378257 -1.856319 -0.216582
H -4.708671 -0.266668 -0.572656
H -3.520646 -3.807361 0.335223
H -2.347383 -3.875705 -0.976426
H -4.082783 -3.821019 -1.349061
H -1.829061 -1.760606 -2.346502
H -3.517827 -1.617145 -2.832612
H -2.729184 -0.255722 -2.050978
H 1.139937 2.489386 -2.053235
H 0.353386 3.852392 -2.834227
H -0.614085 2.461904 -2.344912
H -1.269919 5.444750 -1.347236
H -2.183676 3.968766 -0.972929
H -1.535657 4.950840 0.337514
H 1.261800 4.297116 0.963741
H 1.082250 5.585424 -0.222310
H 2.123347 4.210049 -0.578250


%chk=000111962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111962

0 1
O 2.558116 -1.180892 0.476682
O -2.295858 -1.626736 0.475840
O -0.253273 2.800769 0.474227
O -0.104591 -3.507565 -0.703137
O 2.677378 2.191981 1.477072
O -2.991973 1.838423 -0.684619
O 0.567231 -3.416298 1.475931
O 3.091509 1.658205 -0.702795
O -3.223114 1.217991 1.499310
N 0.192253 -2.866967 0.382379
N 2.388460 1.594053 0.383014
N -2.572737 1.264751 0.398004
C 3.353514 -1.857918 -0.697559
C -3.285685 -1.965202 -0.696779
C -0.068616 3.823128 -0.704529
C 1.301682 -0.631639 0.334313
C -1.191873 -0.813025 0.335303
C -0.102055 1.437491 0.334930
C 0.104686 -1.394283 0.331709
C 1.156756 0.781753 0.332260
C -1.253472 0.604946 0.336132
C 3.401415 -3.361824 -0.377246
C 4.743729 -1.214482 -0.573326
C 2.677420 -1.545629 -2.041099
C -4.613118 -1.265763 -0.357112
C -3.415343 -3.493327 -0.594431
C -2.688106 -1.513177 -2.037456
C 0.001682 3.075300 -2.044308
C -1.323850 4.702005 -0.585853
C 1.207961 4.620978 -0.387705
H 2.436992 -3.863567 -0.557336
H 4.159056 -3.845337 -1.021519
H 3.692241 -3.517381 0.674808
H 5.151124 -1.378974 0.438634
H 4.696357 -0.129942 -0.763329
H 5.432407 -1.674007 -1.305952
H 2.618846 -0.457013 -2.212446
H 3.286505 -1.986613 -2.850525
H 1.668374 -1.989412 -2.109109
H -4.883398 -1.453632 0.695095
H -5.413888 -1.676992 -0.999406
H -4.572020 -0.177492 -0.525498
H -3.759209 -3.780165 0.413836
H -2.450060 -3.986780 -0.792844
H -4.156651 -3.853216 -1.331509
H -1.717387 -2.003766 -2.225296
H -3.381296 -1.807105 -2.845996
H -2.568689 -0.416326 -2.088187
H 0.892131 2.424987 -2.108310
H 0.077803 3.819502 -2.857304
H -0.910960 2.478156 -2.213366
H -1.274766 5.520943 -1.326855
H -2.237523 4.113345 -0.768996
H -1.385068 5.146717 0.421922
H 1.198506 4.951196 0.664122
H 1.244543 5.518376 -1.032814
H 2.125602 4.038350 -0.569368


