%chk=000179108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179108

0 1
O 1.582254 1.116874 -0.751789
O -1.026125 1.612078 0.416474
O -2.151219 2.204829 -1.510243
O 2.951133 2.027196 2.251656
O 3.578753 3.114151 -1.190096
O 2.447949 -0.832085 0.180435
O 4.637120 0.164317 0.661420
O -2.099209 -0.906050 -1.773376
O -4.243207 -0.712424 0.647536
O -3.663269 1.800576 1.368821
C 1.371479 1.702532 0.563473
C 2.608031 2.541352 0.954305
C 3.793188 2.330644 -0.021563
C 4.005938 0.842439 -0.406484
C 2.659869 0.179008 -0.810884
C 0.087460 2.525343 0.415554
C -1.442860 1.155401 -0.893991
C -2.263129 -0.114449 -0.589480
C -3.771039 0.152598 -0.385312
C -4.068678 1.617388 0.008594
C -3.399576 2.634310 -0.919013
C 1.357431 -1.689876 0.017421
C 1.086049 -2.349884 -1.185755
C 0.601445 -1.898446 1.179938
C -0.002328 -3.223196 -1.227348
C -0.486672 -2.767246 1.113613
C -0.810270 -3.412848 -0.092862
C -2.004203 -4.274240 -0.180828
C -3.232278 -3.849785 0.113748
H 1.227814 0.865775 1.295444
H 2.382943 3.627462 1.038494
H 4.739704 2.743870 0.401094
H 4.747038 0.763361 -1.239241
H 2.600252 -0.209010 -1.845039
H 0.076837 3.147301 -0.498010
H -0.096794 3.151537 1.309967
H -0.579444 0.983059 -1.577939
H -1.833944 -0.651976 0.291345
H -4.341767 -0.163427 -1.290554
H -5.171547 1.789644 0.068164
H -3.169842 3.570842 -0.374831
H -4.015367 2.857049 -1.811657
H 3.674379 2.553167 2.655361
H 2.750960 2.820137 -1.651762
H 4.001837 0.059902 1.425983
H -2.243584 -1.859239 -1.556800
H -4.122017 -0.277039 1.536138
H -2.665156 1.857191 1.430376
H 1.704344 -2.193472 -2.065379
H 0.869674 -1.391387 2.104767
H -0.232880 -3.750455 -2.153780
H -1.096075 -2.944839 2.000923
H -1.808626 -5.295711 -0.517277
H -4.108201 -4.480403 0.044631
H -3.470775 -2.841748 0.446715


%chk=000179108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179108

0 1
O 1.645694 1.043841 -0.760205
O -1.053307 1.597342 0.450171
O -2.254718 2.236226 -1.538520
O 2.949415 2.332975 2.267386
O 3.531499 3.048443 -1.393968
O 2.556619 -0.887062 0.364235
O 4.810013 0.327547 0.846400
O -2.343187 -0.971007 -1.712506
O -4.590999 -0.587652 0.633130
O -3.535989 1.855422 1.536292
C 1.409478 1.766266 0.525287
C 2.628437 2.664890 0.869360
C 3.802952 2.390387 -0.106443
C 4.105919 0.878922 -0.302492
C 2.782651 0.116724 -0.670804
C 0.092161 2.523184 0.381633
C -1.581393 1.149670 -0.872680
C -2.479416 -0.068643 -0.566956
C -3.964158 0.323504 -0.332602
C -4.093851 1.778417 0.168533
C -3.449485 2.770288 -0.819178
C 1.477697 -1.798114 0.143735
C 1.405708 -2.594586 -1.019524
C 0.508152 -1.913911 1.161904
C 0.303344 -3.453272 -1.191818
C -0.588865 -2.777026 0.977225
C -0.736200 -3.526660 -0.223506
C -1.939457 -4.336364 -0.515330
C -3.175415 -4.169683 0.037423
H 1.311836 1.017301 1.330923
H 2.376836 3.742401 0.769428
H 4.724010 2.870344 0.266577
H 4.804355 0.797229 -1.152907
H 2.815790 -0.341211 -1.672488
H 0.050998 3.106995 -0.558223
H -0.016323 3.211369 1.238746
H -0.749346 0.862098 -1.533055
H -2.089704 -0.548382 0.351744
H -4.510735 0.195422 -1.282571
H -5.159726 2.029721 0.300373
H -3.159046 3.691449 -0.279312
H -4.156435 3.030940 -1.625378
H 3.763125 2.825220 2.544969
H 2.714234 2.623338 -1.771933
H 4.140257 -0.078938 1.456514
H -2.710094 -1.858544 -1.461351
H -4.386118 -0.198210 1.529150
H -2.532645 1.823248 1.444780
H 2.191004 -2.544953 -1.781153
H 0.616303 -1.323382 2.077040
H 0.227211 -4.051826 -2.107319
H -1.339165 -2.871119 1.769706
H -1.813857 -5.111952 -1.285278
H -4.012564 -4.812442 -0.253626
H -3.399697 -3.384085 0.769557


