%chk=000248015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248015

0 1
O 3.115252 -0.146009 -0.293682
O 3.498036 1.276469 1.450891
C -4.761211 0.641579 0.038596
C -3.272841 0.623271 0.379928
C -5.315800 -0.829398 -0.034828
C -2.552013 -0.055121 -0.826518
C -4.664816 -1.490295 -1.258407
C -3.129957 -1.462611 -1.111314
C -5.808198 1.367474 0.914210
C -2.685056 2.024290 0.592089
C -6.817376 -0.551794 -0.058147
C -1.052717 -0.064729 -0.614591
C -5.051462 -1.672384 1.227155
C -1.212534 1.914848 1.001361
C -7.079080 0.630297 0.522689
C -0.435147 0.887805 0.222210
C -0.249291 -0.989195 -1.305112
C 0.962796 0.894491 0.374624
C 1.136032 -1.001048 -1.166140
C 1.717289 -0.046892 -0.317513
C 3.930661 0.535535 0.604332
C 5.343907 0.183110 0.326365
C 6.330195 0.722406 1.169888
C 5.703884 -0.656311 -0.738361
C 7.673703 0.418443 0.944244
C 7.050895 -0.955198 -0.957560
C 8.033355 -0.419216 -0.118093
H -4.861407 1.092428 -0.984920
H -3.095978 0.019976 1.301768
H -2.738971 0.576238 -1.736341
H -5.009369 -2.533892 -1.370334
H -4.973007 -0.970270 -2.183747
H -2.827668 -2.150736 -0.296789
H -2.675381 -1.865901 -2.036755
H -5.600851 1.262568 1.992414
H -5.860876 2.444942 0.700296
H -3.254304 2.565816 1.370164
H -2.782135 2.628878 -0.329595
H -7.510984 -1.270277 -0.449523
H -5.430497 -1.176000 2.126888
H -5.546116 -2.646076 1.154719
H -3.981668 -1.854369 1.379806
H -1.142729 1.657961 2.081655
H -0.726502 2.908304 0.903499
H -8.040502 1.075619 0.705906
H -0.714345 -1.718769 -1.971103
H 1.444747 1.622922 1.031210
H 1.758338 -1.717667 -1.693802
H 6.036680 1.376182 1.995897
H 4.927930 -1.070080 -1.388297
H 8.441559 0.834000 1.595619
H 7.334751 -1.606331 -1.783290
H 9.083777 -0.654583 -0.291759


%chk=000248015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248015

0 1
O 3.182547 -0.172102 -0.293766
O 3.675413 1.611497 1.164170
C -4.818993 0.621269 0.114517
C -3.315063 0.599252 0.422091
C -5.404623 -0.821589 -0.075300
C -2.596892 -0.043539 -0.810714
C -4.749228 -1.426822 -1.339299
C -3.197147 -1.426422 -1.213909
C -5.853682 1.335422 1.027373
C -2.704227 1.993005 0.678836
C -6.902164 -0.494954 -0.103617
C -1.072153 -0.063491 -0.617588
C -5.169857 -1.757940 1.152949
C -1.224593 1.865534 1.096721
C -7.151821 0.671578 0.555435
C -0.432282 0.865131 0.255128
C -0.253008 -0.976776 -1.334401
C 0.979567 0.869138 0.392927
C 1.146900 -0.982610 -1.203879
C 1.758169 -0.052767 -0.336241
C 4.048410 0.653397 0.445901
C 5.467473 0.231944 0.257495
C 6.469652 0.981001 0.929197
C 5.836691 -0.872772 -0.554224
C 7.827220 0.629311 0.789946
C 7.196957 -1.221179 -0.689555
C 8.193927 -0.472665 -0.019492
H -4.933454 1.111897 -0.879811
H -3.126433 -0.027007 1.319546
H -2.808633 0.646204 -1.661902
H -5.097971 -2.464668 -1.514170
H -5.050311 -0.830342 -2.224481
H -2.875840 -2.190340 -0.479292
H -2.777880 -1.740604 -2.188840
H -5.675587 1.140602 2.107012
H -5.859544 2.433136 0.896011
H -3.267023 2.525037 1.469392
H -2.790638 2.600784 -0.245386
H -7.660573 -1.176288 -0.506409
H -5.518314 -1.282454 2.087219
H -5.743432 -2.694795 1.022099
H -4.108602 -2.032507 1.284777
H -1.176751 1.540399 2.157085
H -0.725222 2.852851 1.060489
H -8.144550 1.087876 0.758109
H -0.712795 -1.702803 -2.011338
H 1.460732 1.586698 1.059846
H 1.770933 -1.689175 -1.758979
H 6.161607 1.828629 1.550207
H 5.057625 -1.443323 -1.066260
H 8.597786 1.209569 1.308719
H 7.481142 -2.074139 -1.315321
H 9.249534 -0.746387 -0.127124


