%chk=000228421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228421

0 1
O -0.042718 0.684198 1.982349
O 1.826203 2.367926 1.181749
O 4.280159 -2.890484 -0.874384
O -5.017494 -2.202992 -0.294438
C -0.077042 0.459983 0.552119
C -0.018770 1.811324 -0.155133
C 1.099098 -0.434581 0.178571
C -1.409043 -0.247895 0.345817
C 0.959528 2.779189 0.186936
C -0.925603 2.148959 -1.161525
C 1.793360 -0.283070 -1.033456
C -1.582088 -1.181273 -0.691947
C 1.476685 -1.446424 1.071147
C -2.475480 0.037263 1.208199
C 1.031189 4.024950 -0.444989
C 2.852559 -1.125425 -1.352917
C -2.805790 -1.813312 -0.876998
C 2.539262 -2.305368 0.778164
C -3.715553 -0.588547 1.047548
C -0.868687 3.391031 -1.809086
C 3.215974 -2.132569 -0.435456
C -3.865157 -1.507784 0.003004
C 0.104190 4.322663 -1.449797
C 2.832347 3.297522 1.649558
C 4.734417 -3.973292 -0.027898
C -6.173779 -1.988009 0.549438
H -1.701252 1.435879 -1.454830
H 1.503739 0.502441 -1.734309
H -0.749711 -1.416687 -1.358479
H 0.926693 -1.559606 2.010332
H -2.326852 0.754403 2.021811
H 0.796174 1.135443 2.246157
H 1.784403 4.755921 -0.172785
H 3.402555 -1.024805 -2.284730
H -2.961390 -2.536847 -1.672865
H 2.817160 -3.081688 1.481253
H -4.528104 -0.358197 1.726466
H -1.589396 3.624142 -2.589209
H 0.148005 5.289725 -1.950443
H 2.358613 4.180984 2.086929
H 3.514183 3.557152 0.834192
H 3.348025 2.702308 2.414818
H 3.937448 -4.710146 0.107306
H 5.095441 -3.582640 0.927596
H 5.559344 -4.390475 -0.619834
H -6.498218 -0.945262 0.490811
H -5.955164 -2.290119 1.577686
H -6.913762 -2.657108 0.091658


%chk=000228421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228421

0 1
O -0.041235 0.692355 2.087039
O 1.819995 2.428516 1.279733
O 4.364063 -2.925036 -0.922200
O -5.121827 -2.235965 -0.351054
C -0.087803 0.450488 0.619986
C -0.051394 1.819889 -0.109329
C 1.117431 -0.429070 0.211261
C -1.420942 -0.285165 0.387053
C 0.935803 2.793359 0.236258
C -0.960941 2.159024 -1.134580
C 1.797440 -0.276007 -1.023359
C -1.589412 -1.218770 -0.667388
C 1.537168 -1.459365 1.085071
C -2.530749 0.002159 1.214447
C 1.009080 4.040824 -0.420426
C 2.871153 -1.118281 -1.371275
C -2.829089 -1.847901 -0.888641
C 2.610447 -2.314443 0.753616
C -3.780556 -0.623777 1.011155
C -0.902102 3.404079 -1.804894
C 3.282118 -2.140982 -0.482849
C -3.930784 -1.551909 -0.049101
C 0.085798 4.343388 -1.447870
C 2.919851 3.334190 1.619496
C 4.812966 -4.005502 -0.043066
C -6.283395 -1.971182 0.499204
H -1.729479 1.431569 -1.412495
H 1.492171 0.512248 -1.720385
H -0.741766 -1.469092 -1.314102
H 1.013011 -1.579298 2.038749
H -2.396498 0.707814 2.038837
H 0.778221 1.244744 2.237012
H 1.769563 4.776533 -0.143272
H 3.402339 -1.002895 -2.321155
H -2.963356 -2.573138 -1.697025
H 2.908220 -3.100368 1.454735
H -4.615283 -0.385083 1.677364
H -1.622852 3.631843 -2.596994
H 0.143652 5.311365 -1.957877
H 2.539924 4.299298 2.005981
H 3.570858 3.508018 0.742653
H 3.487023 2.814706 2.405714
H 4.009143 -4.748255 0.127705
H 5.166387 -3.614419 0.931338
H 5.649469 -4.481489 -0.575929
H -6.586369 -0.906736 0.450240
H -6.084759 -2.249661 1.552782
H -7.087004 -2.603819 0.093946


