%chk=000190366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190366

0 1
O 0.746176 -1.173325 -0.218437
O -0.764932 1.257605 0.067935
O 3.383880 -1.140781 -0.156134
O -2.194389 -3.061498 0.390531
O 0.740460 3.725063 0.398491
O -4.799558 1.336651 2.628692
O -6.174842 -0.782509 -1.454745
O 5.561573 2.368666 0.262072
O -6.881606 0.309210 0.871107
C -1.358235 0.037632 -0.494661
C -0.671237 -1.188269 0.140965
C 1.346896 0.057058 -0.042673
C -2.820764 0.125905 -0.136281
C 0.618756 1.250964 0.076381
C -1.143275 -2.539929 -0.417988
C 2.759415 0.094333 -0.020027
C 3.434904 1.311387 0.127319
C 1.303134 2.484481 0.241098
C -3.767447 -0.389375 -1.042427
C -3.210277 0.681636 1.075603
C 2.703314 2.500399 0.264548
C 4.925321 1.342325 0.144414
C 5.550019 0.009637 0.003681
C 4.771518 -1.147633 -0.135548
C -4.581602 0.752915 1.415135
C -5.117052 -0.323850 -0.701369
C -5.547104 0.243443 0.526052
C 6.952981 -0.136049 0.007242
C 5.334378 -2.431256 -0.269709
C 7.530193 -1.393326 -0.124205
C 6.719610 -2.537045 -0.261855
C -0.706805 3.824516 0.343383
C -6.173221 1.448182 3.095819
C -5.884773 -1.332451 -2.764474
H -1.177384 0.082189 -1.593268
H -0.739218 -1.160413 1.253657
H -0.336201 -3.300013 -0.319547
H -1.461866 -2.481399 -1.471928
H -3.450413 -0.805767 -1.991947
H -2.473403 1.083072 1.775522
H 3.234399 3.451525 0.387278
H -2.994128 -2.488453 0.333305
H 7.568894 0.762803 0.115852
H 4.686003 -3.298811 -0.373191
H 8.613300 -1.500725 -0.120667
H 7.187828 -3.517930 -0.363149
H -1.157832 3.224948 1.142061
H -1.069179 3.508066 -0.639366
H -0.860747 4.897513 0.507891
H -7.443242 -0.070092 0.136988
H -6.617091 0.451760 3.193677
H -6.753462 2.068433 2.404571
H -6.037001 1.933820 4.068651
H -5.413395 -0.574966 -3.397731
H -6.891592 -1.580800 -3.127325
H -5.269181 -2.231572 -2.667270


%chk=000190366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190366

0 1
O 0.717889 -1.213038 0.041232
O -0.765411 1.278167 -0.068277
O 3.416200 -1.185734 -0.059347
O -2.487343 -2.839394 0.885996
O 0.680901 3.742426 -0.163917
O -5.072117 1.389159 2.499190
O -6.224637 -0.623794 -1.762194
O 5.629476 2.392993 -0.248786
O -7.051311 0.460078 0.485931
C -1.395459 -0.028035 -0.428090
C -0.720568 -1.145195 0.405486
C 1.359559 0.037488 -0.016302
C -2.880814 0.106863 -0.182069
C 0.641510 1.256988 -0.040227
C -1.272684 -2.555747 0.126552
C 2.774915 0.060951 -0.071494
C 3.475451 1.294518 -0.130079
C 1.339321 2.508108 -0.069329
C -3.800455 -0.353033 -1.162484
C -3.354946 0.651762 1.029103
C 2.738658 2.506774 -0.115483
C 4.956832 1.312340 -0.194080
C 5.600317 -0.026981 -0.187296
C 4.820120 -1.212886 -0.119315
C -4.742772 0.768754 1.293571
C -5.178084 -0.243701 -0.897777
C -5.668397 0.323315 0.313383
C 7.014321 -0.156950 -0.246161
C 5.412577 -2.494695 -0.107763
C 7.620357 -1.423345 -0.236712
C 6.814357 -2.594000 -0.166837
C -0.354637 4.051468 0.847739
C -6.319875 1.017453 3.202465
C -5.869365 -1.164358 -3.077033
H -1.185663 -0.224180 -1.499605
H -0.815730 -0.913653 1.485448
H -0.528321 -3.288385 0.475165
H -1.421553 -2.700143 -0.965299
H -3.437838 -0.757207 -2.112137
H -2.661872 1.020438 1.789984
H 3.283758 3.453508 -0.156110
H -3.197714 -2.204634 0.608738
H 7.600728 0.766380 -0.297863
H 4.769697 -3.377858 -0.053240
H 8.710412 -1.513357 -0.282089
H 7.285594 -3.582758 -0.158452
H 0.076158 3.999831 1.866114
H -1.214139 3.367208 0.760186
H -0.662534 5.084019 0.625277
H -7.493674 0.101328 -0.331092
H -6.360319 -0.075159 3.367223
H -7.207492 1.339384 2.637481
H -6.254089 1.542584 4.167090
H -5.292627 -0.424486 -3.663370
H -6.826493 -1.372781 -3.576116
H -5.289675 -2.100899 -2.972930


