%chk=000179136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179136

0 1
O 3.406108 1.389714 1.350087
O 3.470207 1.268630 -0.881615
C 0.718482 -0.137776 -0.653805
C 1.735154 -1.288227 -0.539017
C 1.848605 -0.062025 0.384389
C -0.585449 -0.691041 -0.151806
C 0.963496 -2.444384 0.019107
C -1.746087 -0.025285 -0.070936
C -0.327503 -2.103612 0.219306
C 2.953070 0.892222 0.145653
C -1.933644 1.416905 -0.459247
C -3.043485 -0.607277 0.423406
C -3.374718 1.794045 -0.066567
C -4.120624 0.472325 0.202691
H 0.696915 0.566010 -1.482214
H 2.515292 -1.487513 -1.269404
H 1.596606 -0.179930 1.451248
H 1.435175 -3.394029 0.196175
H -1.113189 -2.734124 0.600967
H -1.193941 2.068503 0.041858
H -1.769588 1.545844 -1.546832
H -3.295419 -1.542601 -0.108919
H -2.960380 -0.872742 1.495052
H -3.374476 2.429938 0.836025
H -3.867763 2.379126 -0.859516
H -4.761600 0.207416 -0.656332
H -4.788289 0.558627 1.074943
H 4.153544 2.035258 1.237104


%chk=000179136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179136

0 1
O 3.544744 1.406267 1.315299
O 3.402731 1.210330 -1.000222
C 0.724527 -0.139814 -0.610008
C 1.730551 -1.288566 -0.554716
C 1.896344 -0.074664 0.432040
C -0.582234 -0.692544 -0.103213
C 0.974688 -2.450853 0.014570
C -1.769447 -0.013787 -0.032838
C -0.326859 -2.095777 0.279323
C 2.983329 0.876257 0.138341
C -1.976987 1.441322 -0.449979
C -3.096363 -0.586197 0.464918
C -3.402062 1.798263 0.057072
C -4.160247 0.445941 -0.001054
H 0.763945 0.609921 -1.403769
H 2.518438 -1.405999 -1.302172
H 1.663857 -0.244427 1.485032
H 1.427015 -3.426565 0.207550
H -1.077294 -2.744559 0.739178
H -1.194905 2.113197 -0.051156
H -1.933314 1.526633 -1.556659
H -3.290492 -1.607746 0.090858
H -3.091159 -0.644413 1.573891
H -3.350303 2.153106 1.104773
H -3.882951 2.590765 -0.542033
H -4.460447 0.229874 -1.044863
H -5.071775 0.432588 0.621463
H 4.273169 2.035440 1.060171


