%chk=000186934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186934

0 1
O 0.303919 -0.087817 -1.165173
O 2.566446 2.893102 -0.314613
O 1.940838 2.391592 1.799078
O 0.345898 -2.319528 -1.568984
O -1.710120 0.854949 1.936229
O -0.276022 -0.884217 1.734531
C 2.409539 -0.313913 0.034607
C 3.160155 -1.657121 -0.006357
C 3.327786 0.833520 0.497692
C 1.755517 0.012891 -1.317420
C 4.409696 -1.664202 -0.880711
C 2.531968 2.072213 0.794304
C -0.270899 -1.332992 -1.249712
C -1.731718 -1.208933 -0.953990
C -2.210217 -0.704331 0.266184
C -2.633366 -1.625237 -1.941703
C -3.590606 -0.600172 0.484141
C -4.009952 -1.526845 -1.714837
C 1.810387 4.131074 -0.246362
C -4.487618 -1.011736 -0.506319
C -1.268847 -0.306108 1.354313
C -0.879672 1.401367 3.002275
H 1.578982 -0.423928 0.795680
H 2.449482 -2.437464 -0.367420
H 3.424648 -1.958312 1.026811
H 3.872761 0.527710 1.417846
H 4.105942 1.041428 -0.267706
H 1.860674 1.073786 -1.620003
H 2.078637 -0.653414 -2.135086
H 5.196360 -1.015639 -0.481488
H 4.827862 -2.676522 -0.949651
H 4.194548 -1.336805 -1.904198
H -2.259375 -2.031569 -2.884072
H -3.957834 -0.189664 1.428235
H -4.710083 -1.853614 -2.484683
H -5.561171 -0.929847 -0.333297
H 2.194047 4.698981 -1.099909
H 2.000569 4.641230 0.703773
H 0.746922 3.896188 -0.355887
H -0.725884 0.648424 3.779827
H 0.083414 1.726597 2.579171
H -1.475513 2.248676 3.353283


%chk=000186934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186934

0 1
O 0.570825 -0.295738 -1.079101
O 1.878471 2.494238 -0.670937
O 1.331010 2.070730 1.550406
O -0.044204 -2.513901 -1.513624
O -1.700368 0.725141 2.408956
O -0.269431 -0.941416 1.633174
C 2.737625 -0.583749 0.122628
C 3.938072 -1.574303 0.156357
C 3.207360 0.862867 0.482916
C 2.017518 -0.646771 -1.242904
C 5.033588 -1.327097 -0.906774
C 2.058047 1.847432 0.553703
C -0.342371 -1.349547 -1.162242
C -1.747562 -0.864031 -0.929797
C -2.178374 -0.243400 0.277227
C -2.666212 -1.037167 -1.992299
C -3.508635 0.238330 0.377016
C -3.990722 -0.562133 -1.881090
C 0.673486 3.352729 -0.773481
C -4.409175 0.088731 -0.697583
C -1.272849 -0.203654 1.468705
C -0.842278 0.863681 3.615037
H 2.007176 -0.909227 0.888497
H 3.535356 -2.598666 0.030702
H 4.393565 -1.539718 1.166000
H 3.695057 0.839870 1.473547
H 3.934653 1.216453 -0.267924
H 2.400421 0.099334 -1.958237
H 2.073643 -1.661265 -1.675670
H 5.516964 -0.340887 -0.782919
H 5.825914 -2.093514 -0.829658
H 4.624766 -1.377469 -1.932855
H -2.331902 -1.540845 -2.904901
H -3.823202 0.712170 1.310518
H -4.689976 -0.699213 -2.712772
H -5.434820 0.461596 -0.606907
H 0.742572 3.818660 -1.766370
H 0.672166 4.111407 0.026889
H -0.230121 2.725984 -0.690549
H -0.709965 -0.117500 4.101424
H 0.132295 1.274886 3.308626
H -1.390283 1.560772 4.264665


