%chk=000188203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188203

0 1
O -2.578131 2.934756 -1.919470
O 2.796026 1.844860 1.262106
O 2.644508 -0.806057 -1.075833
O 3.610346 3.916401 0.758010
O 4.652583 -0.108011 -0.280632
N -3.169799 -0.208226 -0.653465
C -4.380277 0.293117 0.112554
C -3.257012 -1.664992 -1.010404
C -2.844815 0.586563 -1.874618
C -5.676177 0.238910 -0.724228
C -4.119286 1.740682 0.562696
C -4.537066 -0.589546 1.370115
C -1.997192 -2.372828 -0.563887
C -2.104851 1.882345 -1.531203
C -0.811374 1.848448 -0.801757
C -1.603313 -2.334279 0.783058
C -1.246185 -3.118490 -1.483458
C -0.084163 0.665487 -0.605642
C -0.304144 3.073235 -0.324408
C 1.152055 0.691038 0.050152
C -0.489098 -3.058498 1.209575
C -0.126624 -3.837902 -1.052733
C 1.615301 1.931723 0.539208
C 0.249188 -3.816974 0.293216
C 0.909005 3.124589 0.357595
C 1.973527 -0.550118 0.203608
C 3.799432 2.832653 1.235308
C 3.975496 -0.500750 -1.204763
C 4.993330 2.225557 1.867949
C 4.393041 -0.761674 -2.610862
H -4.124044 -2.154340 -0.503145
H -3.438633 -1.827514 -2.095387
H -2.189777 -0.006742 -2.553463
H -3.749745 0.856280 -2.470800
H -5.603912 0.866897 -1.619886
H -6.529242 0.610019 -0.145845
H -5.922011 -0.775101 -1.048283
H -4.226825 2.463456 -0.256464
H -3.110533 1.853281 0.980590
H -4.827288 2.046385 1.339859
H -4.911756 -1.591100 1.133261
H -3.570080 -0.711820 1.882464
H -5.236414 -0.140398 2.081594
H -2.173212 -1.724202 1.490351
H -1.531494 -3.146568 -2.532640
H -0.477225 -0.291109 -0.967482
H -0.876983 3.991033 -0.499822
H -0.196273 -3.036766 2.258081
H 0.452263 -4.417609 -1.769946
H 1.314988 4.070324 0.721847
H 1.112112 -4.388601 0.627934
H 2.730300 -0.466957 1.009516
H 1.360684 -1.464330 0.328273
H 5.322279 1.333255 1.285699
H 5.831776 2.935399 1.911068
H 4.787924 1.858380 2.885259
H 3.596709 -1.239025 -3.204267
H 4.660126 0.181054 -3.115593
H 5.280955 -1.411401 -2.643062


%chk=000188203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188203

0 1
O -2.572406 2.665214 -2.435937
O 2.753445 2.685359 1.176488
O 2.276900 -0.939224 0.571113
O 4.080627 3.331621 -0.655802
O 4.368237 -0.009714 1.053390
N -3.089310 -0.367235 -0.443764
C -4.140386 0.202350 0.506632
C -3.341111 -1.808113 -0.789906
C -2.876126 0.393429 -1.706936
C -5.594262 -0.004680 -0.019015
C -3.901161 1.718379 0.713669
C -3.975018 -0.487552 1.887873
C -2.104785 -2.537334 -1.303100
C -2.120661 1.738840 -1.694493
C -0.831751 1.935295 -0.952239
C -0.982229 -2.737008 -0.459446
C -2.068296 -3.064660 -2.618048
C -0.254898 0.943309 -0.120192
C -0.162751 3.181788 -1.108412
C 0.967460 1.172592 0.553393
C 0.149666 -3.443445 -0.917301
C -0.937204 -3.776211 -3.082238
C 1.593809 2.436482 0.393130
C 0.175002 -3.968180 -2.231664
C 1.043719 3.437635 -0.437707
C 1.585623 0.101037 1.422697
C 3.981815 3.094643 0.559345
C 3.667040 -0.852092 0.446606
C 5.062386 3.133720 1.606270
C 4.185580 -1.895034 -0.519559
H -3.693644 -2.313748 0.124492
H -4.154209 -1.907366 -1.547987
H -2.264439 -0.263860 -2.360930
H -3.822473 0.594491 -2.259866
H -5.730873 0.450600 -1.017413
H -6.315227 0.476248 0.666763
H -5.860267 -1.074748 -0.085525
H -4.097298 2.306022 -0.199184
H -2.868727 1.916725 1.049285
H -4.589975 2.087416 1.494818
H -4.222030 -1.563818 1.866389
H -2.935045 -0.375282 2.242859
H -4.649579 -0.014894 2.624493
H -1.004162 -2.337837 0.562089
H -2.932550 -2.922530 -3.279373
H -0.788495 -0.003192 0.008684
H -0.617522 3.934994 -1.759645
H 1.008481 -3.578056 -0.250797
H -0.924463 -4.177310 -4.101937
H 1.558790 4.394763 -0.549230
H 1.051826 -4.519895 -2.589359
H 2.323879 0.519577 2.125079
H 0.816618 -0.483110 1.951718
H 5.346748 2.089631 1.829733
H 5.936275 3.681709 1.225241
H 4.691624 3.592063 2.537260
H 3.408942 -2.632038 -0.769135
H 4.508681 -1.390128 -1.447834
H 5.069158 -2.393440 -0.088035


