%chk=000183038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183038

0 1
O 4.240174 0.912518 0.086843
O -0.653520 -1.553895 -0.782677
O 0.901162 1.109309 1.485510
O 0.790648 -0.219020 -1.896089
O -5.112720 -1.920443 -0.575887
C 3.033268 -1.935576 -0.465565
C 2.671989 -0.871040 0.572509
C 1.555293 -1.686134 -0.088398
C 2.851846 0.603841 0.263275
C 3.558369 -1.511018 -1.811026
C 3.639308 -3.227239 0.034828
C 0.608256 -1.042892 -1.025373
C 2.276289 1.542075 1.375716
C 2.965960 1.366406 2.728949
C 2.302905 2.995180 0.906723
C -1.770204 -1.004663 -1.545649
C -2.862440 -2.079403 -1.478583
C -2.342946 0.207829 -0.804346
C -3.609648 -0.023386 -0.398274
C -4.040777 -1.408282 -0.772380
C -1.514115 1.410884 -0.629625
C -4.542703 0.885033 0.321823
C -3.995626 1.340208 1.644986
C -4.210038 2.553301 2.150141
H 2.856083 -1.101862 1.632272
H 1.052399 -2.440141 0.543241
H 2.415655 0.882275 -0.732409
H 2.879118 -0.817917 -2.336836
H 3.724535 -2.361863 -2.480419
H 4.510983 -0.970251 -1.699057
H 3.321481 -3.488465 1.050732
H 4.735941 -3.168068 0.040541
H 3.361730 -4.068510 -0.615132
H 4.777675 0.545870 0.817268
H 2.865763 0.338419 3.098248
H 2.535340 2.023231 3.493116
H 4.032865 1.609885 2.667813
H 1.583863 3.159062 0.093309
H 2.063207 3.702301 1.705019
H 3.297267 3.258325 0.515910
H 0.436455 1.599095 2.189504
H -1.422931 -0.759778 -2.570428
H -2.518120 -2.963460 -0.902010
H -3.151645 -2.467361 -2.469143
H -0.689002 1.219966 0.091454
H -2.084609 2.269362 -0.249458
H -1.017572 1.711821 -1.566505
H -4.796592 1.749740 -0.330341
H -5.515333 0.361273 0.500692
H -3.412714 0.586841 2.179353
H -3.835418 2.867080 3.112636
H -4.780257 3.322836 1.652101


%chk=000183038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183038

0 1
O 4.601292 0.795892 -0.006163
O -0.673608 -1.388923 -0.603625
O 1.238787 1.311980 1.529664
O 0.878796 -0.118962 -1.805430
O -5.293084 -1.829013 -1.159361
C 3.028999 -1.993145 -0.353135
C 2.826557 -0.813369 0.603814
C 1.579618 -1.574492 0.061297
C 3.144659 0.621833 0.215014
C 3.519097 -1.765632 -1.782071
C 3.518360 -3.306083 0.261073
C 0.629979 -0.935486 -0.880228
C 2.658552 1.683472 1.258064
C 3.456448 1.631311 2.579897
C 2.722587 3.087327 0.625982
C -1.780971 -0.836496 -1.455337
C -2.846117 -1.928043 -1.650960
C -2.484996 0.303803 -0.717959
C -3.822727 0.034867 -0.548885
C -4.146985 -1.302741 -1.115882
C -1.722861 1.524004 -0.299284
C -4.890439 0.890868 0.100333
C -4.819507 0.862140 1.620408
C -4.759336 1.957946 2.417708
H 3.009728 -1.036220 1.664357
H 1.077773 -2.223517 0.783229
H 2.691727 0.866378 -0.758759
H 3.081216 -0.867303 -2.242367
H 3.256644 -2.635166 -2.413808
H 4.618172 -1.651675 -1.787295
H 3.152051 -3.441456 1.295502
H 4.624686 -3.329128 0.284415
H 3.175553 -4.171050 -0.336794
H 5.085296 0.312430 0.711361
H 3.413715 0.629078 3.041917
H 3.034286 2.350023 3.307267
H 4.512150 1.912555 2.417485
H 2.020085 3.149190 -0.224076
H 2.459034 3.872878 1.360468
H 3.741090 3.289299 0.250865
H 0.849804 2.005163 2.122879
H -1.317620 -0.476818 -2.393059
H -2.592198 -2.826912 -1.062322
H -2.970655 -2.241524 -2.701256
H -0.848886 1.249316 0.323082
H -2.353510 2.230225 0.264047
H -1.303525 2.038681 -1.186459
H -4.829622 1.937095 -0.252644
H -5.870737 0.483200 -0.220220
H -4.832308 -0.139560 2.075085
H -4.728867 1.871395 3.509593
H -4.751285 2.973661 2.001472


