%chk=000183929.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183929

0 1
O 0.452415 -2.994884 0.059675
O 1.940657 0.363880 -0.401364
O 4.724093 1.760345 -1.864058
O 3.381923 -0.800115 -1.704334
O -8.811422 -0.280413 0.144776
O -7.888319 1.757855 0.149257
C 1.098686 -1.738066 0.447251
C 1.917417 -2.942767 0.053997
C 0.889742 -0.642331 -0.603761
C 0.950028 -1.329975 1.880646
C -0.389601 0.123301 -0.451964
C 5.040548 0.953919 0.464607
C 4.069605 1.350797 -0.675720
C 3.151526 0.168148 -1.022123
C 5.805054 2.203659 0.944124
C -1.583430 -0.484329 -0.424883
C 6.012171 -0.138871 0.017271
C 4.943127 3.128034 1.798096
C -2.840118 0.253116 -0.303892
C -4.034238 -0.363087 -0.233254
C -5.286682 0.377867 -0.110571
C -6.484414 -0.226421 -0.033054
C -7.717807 0.559617 0.091148
H 2.389424 -3.566532 0.807970
H 2.371963 -3.005774 -0.935838
H 0.994890 -1.055624 -1.640215
H 1.640975 -0.511713 2.128333
H 1.140228 -2.162616 2.571039
H -0.070849 -0.974119 2.088688
H -0.261842 1.206379 -0.379850
H 4.423126 0.560053 1.312189
H 3.463119 2.252602 -0.403551
H 6.197053 2.756356 0.064383
H 6.696493 1.890633 1.523218
H -1.659060 -1.578433 -0.489361
H 5.491694 -0.994727 -0.435125
H 6.588626 -0.526880 0.865963
H 6.737679 0.229825 -0.717789
H 4.566593 2.624241 2.695535
H 5.518422 4.000312 2.133092
H 4.077410 3.510503 1.244483
H 5.315151 1.044332 -2.206232
H -2.760045 1.344750 -0.273755
H -4.115073 -1.454081 -0.264660
H -5.214098 1.474991 -0.082841
H -6.619013 -1.310976 -0.056850
H -9.667130 0.218919 0.228404


%chk=000183929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183929

0 1
O 0.418610 -3.033480 -0.511261
O 2.060448 0.413048 -0.462453
O 5.393492 1.394590 -1.632859
O 3.483555 -0.504166 -2.076250
O -8.828324 -0.251320 0.534117
O -7.762821 1.813541 0.351890
C 1.201217 -1.852686 0.043782
C 1.930623 -3.003007 -0.581983
C 0.988961 -0.594569 -0.813428
C 1.163602 -1.686642 1.550269
C -0.325676 0.115922 -0.605800
C 4.731839 1.118552 0.759071
C 4.263370 1.382235 -0.710000
C 3.250164 0.334659 -1.169193
C 5.685834 2.249900 1.224978
C -1.526677 -0.515622 -0.417628
C 5.407889 -0.265143 0.888119
C 5.021880 3.637854 1.355581
C -2.780998 0.199869 -0.273527
C -4.003926 -0.415443 -0.096781
C -5.241990 0.317245 0.049023
C -6.475034 -0.265889 0.224786
C -7.684962 0.556915 0.367007
H 2.425789 -3.730664 0.072273
H 2.344922 -2.895502 -1.590832
H 1.134763 -0.863873 -1.879716
H 1.987963 -1.029664 1.882677
H 1.270880 -2.666144 2.045232
H 0.212733 -1.232640 1.877573
H -0.279572 1.212328 -0.663508
H 3.818149 1.144617 1.389439
H 3.780857 2.376480 -0.757676
H 6.533288 2.304411 0.515285
H 6.106123 1.954903 2.207304
H -1.559156 -1.613181 -0.383797
H 4.736049 -1.092144 0.588068
H 5.715658 -0.445306 1.933648
H 6.311663 -0.311780 0.254228
H 4.147588 3.605257 2.033330
H 5.736402 4.375693 1.763434
H 4.680811 4.025093 0.377797
H 5.332137 0.577955 -2.199967
H -2.742535 1.299583 -0.308741
H -4.050680 -1.513724 -0.064525
H -5.200433 1.416341 0.018795
H -6.604167 -1.352400 0.265042
H -9.623614 0.339701 0.626277


