%chk=000197678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197678

0 1
O 0.256824 -0.847101 -0.576019
O 4.479487 1.318073 -0.216332
O 1.559741 -3.956578 1.790876
O -5.873458 -0.475546 -1.221291
C -0.511202 -2.111770 -0.498012
C -0.300200 -2.811899 0.837042
C 4.045323 2.504309 -1.037143
C 1.523931 -0.849981 -0.077659
C 2.305684 0.272677 -0.426047
C 2.030259 -1.885461 0.733115
C 3.636927 0.305244 0.048771
C -1.937090 -1.678439 -0.711955
C 1.172763 -2.988494 1.171651
C 2.632250 2.405223 -1.529078
C 1.827134 1.372263 -1.244563
C 3.376727 -1.815306 1.164340
C 4.181318 -0.742905 0.835809
C 5.058686 2.491319 -2.176449
C 4.239113 3.660746 -0.061951
C -2.429550 -0.527905 -0.070230
C -2.769666 -2.430982 -1.547531
C -3.750974 -0.117284 -0.244669
C -4.573182 -0.905670 -1.085319
C -4.101234 -2.051620 -1.736405
C -4.306183 1.097675 0.442576
C -3.343494 2.245847 0.455978
C -3.062228 3.003297 1.527140
C -2.095628 4.146313 1.438072
C -3.667571 2.798318 2.880985
H -0.117400 -2.721058 -1.345152
H -0.814546 -3.796047 0.842916
H -0.777113 -2.245327 1.667412
H 2.308560 3.243698 -2.140373
H 0.797819 1.305579 -1.605413
H 3.763369 -2.638309 1.777044
H 5.215566 -0.675357 1.162678
H 6.079828 2.357578 -1.794256
H 4.867272 1.661690 -2.869655
H 5.032776 3.421868 -2.752410
H 5.218428 3.600036 0.431774
H 4.174581 4.630297 -0.566078
H 3.480621 3.643135 0.731350
H -1.758266 0.061511 0.562076
H -2.390279 -3.318053 -2.054473
H -4.752040 -2.635810 -2.379297
H -5.247686 1.424525 -0.061194
H -4.615320 0.814054 1.475654
H -2.875341 2.442568 -0.508858
H -6.389312 -1.049695 -1.839023
H -1.182287 3.931148 2.010048
H -2.527761 5.069036 1.847143
H -1.786969 4.362856 0.407618
H -4.420433 3.570007 3.092825
H -2.912093 2.851157 3.675518
H -4.167781 1.822651 2.971924


%chk=000197678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197678

0 1
O 0.355217 -0.610258 -0.500347
O 4.932710 0.938938 -0.830905
O 1.436312 -3.400101 2.456264
O -5.922620 -0.475252 -1.574522
C -0.504658 -1.819440 -0.230708
C -0.345198 -2.238880 1.243630
C 4.489923 2.237785 -1.492938
C 1.683821 -0.714991 -0.073921
C 2.602841 0.192827 -0.661586
C 2.106034 -1.675233 0.894953
C 3.969049 0.112708 -0.263697
C -1.918422 -1.459453 -0.625147
C 1.119511 -2.525367 1.593700
C 3.135198 2.057806 -2.162707
C 2.239739 1.127111 -1.728676
C 3.488496 -1.739015 1.231674
C 4.420986 -0.864685 0.660873
C 5.608989 2.533751 -2.503599
C 4.420648 3.303699 -0.374872
C -2.551783 -0.312872 -0.080738
C -2.639841 -2.281843 -1.518353
C -3.882115 0.029107 -0.398572
C -4.589144 -0.830745 -1.286506
C -3.978102 -1.974646 -1.845802
C -4.580488 1.258191 0.180422
C -3.640483 2.322602 0.706703
C -3.580541 2.842288 1.967195
C -2.592108 3.948520 2.303764
C -4.455909 2.404821 3.128894
H -0.119158 -2.629256 -0.884851
H -0.954157 -3.133883 1.457457
H -0.713892 -1.424342 1.899425
H 2.899351 2.740033 -2.987442
H 1.245690 1.033109 -2.175252
H 3.790459 -2.483413 1.975880
H 5.482917 -0.901482 0.917256
H 6.583522 2.582660 -1.988527
H 5.656546 1.744504 -3.272311
H 5.424957 3.503125 -3.000916
H 5.402905 3.403717 0.120167
H 4.136298 4.283349 -0.800468
H 3.664785 3.025711 0.379914
H -1.993568 0.348154 0.591534
H -2.163046 -3.164801 -1.960048
H -4.537716 -2.619506 -2.535950
H -5.221966 1.688303 -0.614842
H -5.288155 0.927169 0.964670
H -2.942759 2.727589 -0.043065
H -6.325199 -1.112869 -2.214937
H -1.908802 3.637284 3.119112
H -3.118627 4.855507 2.662749
H -1.978790 4.231522 1.430742
H -5.087056 3.245661 3.479674
H -3.830915 2.099157 3.991244
H -5.122987 1.563730 2.879809


