%chk=000185819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185819

0 1
O 5.382932 -0.161914 1.248504
O 3.766235 -1.061172 -0.148292
O 6.621720 -1.661902 -2.417840
O 6.906607 1.177599 -1.865746
O 6.717865 -2.913370 0.579390
O 5.348868 2.858089 1.547801
O 2.768387 -2.260201 2.179852
O -0.130359 1.425824 -0.739413
O -3.266965 1.807430 1.189603
O -1.885153 2.655129 -1.230644
O -5.752443 -1.324413 -1.466514
O -6.823714 -2.813890 -2.673754
C 6.710148 -1.120366 -1.096509
C 6.102828 0.302276 -1.083719
C 5.884030 -2.095166 -0.229160
C 5.941452 0.834686 0.351069
C 4.893014 -1.368074 0.714566
C 5.016470 2.062079 0.410012
C 2.544325 -0.737333 0.381026
C 1.955828 -1.337777 1.553622
C 1.826815 0.184833 -0.365284
C 0.519017 0.516224 0.050118
C -0.067181 -0.043015 1.201164
C 0.680148 -0.987619 1.952541
C -1.401784 0.366506 1.559617
C -2.040272 1.271779 0.779968
C -1.464605 1.868948 -0.435396
C 2.237096 -2.952003 3.338085
C -4.417812 1.289643 0.615791
C -4.460128 0.175785 -0.209400
C -6.915760 0.465702 -0.316918
C -5.730645 -0.225042 -0.669301
C -5.578065 2.013994 1.002047
C -6.805663 1.598066 0.529862
C -8.167402 -0.015215 -0.844041
C -8.201744 -1.106441 -1.643020
C -7.004170 -1.837589 -2.004006
H 7.781721 -1.121229 -0.796345
H 5.126995 0.301981 -1.640009
H 5.352289 -2.836252 -0.887403
H 6.921838 1.068719 0.830080
H 4.608711 -1.955833 1.619953
H 3.951484 1.768799 0.445066
H 5.197306 2.748695 -0.443551
H 6.887852 -0.979317 -3.082056
H 7.773292 1.357994 -1.439873
H 7.274515 -2.372165 1.184052
H 5.106840 2.381613 2.373074
H 2.243976 0.633921 -1.269059
H 0.222088 -1.430057 2.835776
H -1.875392 -0.048370 2.453685
H 3.070817 -3.622170 3.591057
H 2.041455 -2.243345 4.147471
H 1.347147 -3.526104 3.063297
H -3.577524 -0.380922 -0.515112
H -5.468737 2.883355 1.648350
H -7.711674 2.142430 0.805692
H -9.081127 0.525076 -0.580715
H -9.128594 -1.500809 -2.064410


%chk=000185819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185819

0 1
O 5.519549 0.009209 1.172005
O 3.849677 -1.260523 -0.063321
O 6.951121 -1.686467 -2.433547
O 6.756236 1.186420 -2.236923
O 7.118738 -2.704978 0.700920
O 4.838584 2.757308 1.433566
O 3.050244 -2.284175 2.492765
O -0.346205 0.934236 -0.622581
O -3.373229 1.270923 1.554211
O -2.303081 2.100121 -1.007557
O -6.021115 -1.144085 -1.737041
O -7.248092 -2.347967 -3.280923
C 6.836463 -1.025182 -1.139941
C 6.061168 0.301358 -1.279106
C 6.153057 -2.008402 -0.156058
C 5.898147 0.988328 0.088837
C 5.104037 -1.311320 0.739202
C 4.866308 2.123020 0.115538
C 2.617296 -0.945811 0.528460
C 2.163150 -1.450132 1.799875
C 1.754974 -0.159977 -0.257590
C 0.463698 0.146181 0.205340
C 0.002954 -0.311980 1.471505
C 0.877159 -1.115786 2.255983
C -1.333383 0.049361 1.877262
C -2.131894 0.822723 1.063196
C -1.676846 1.352960 -0.236472
C 2.586794 -2.888227 3.747971
C -4.556524 1.061314 0.805071
C -4.679451 0.037050 -0.151134
C -7.038300 0.720120 -0.492456
C -5.922910 -0.119732 -0.793473
C -5.641645 1.911555 1.142339
C -6.868570 1.735621 0.492136
C -8.272718 0.486114 -1.206662
C -8.380070 -0.519094 -2.143595
C -7.265606 -1.406712 -2.467654
H 7.850534 -0.777373 -0.738092
H 5.088515 0.112561 -1.760008
H 5.665075 -2.805216 -0.736239
H 6.875977 1.390800 0.428847
H 4.935779 -1.875018 1.666836
H 3.867435 1.731210 -0.164429
H 5.155554 2.914326 -0.595178
H 7.183314 -0.991105 -3.105378
H 7.616155 1.488010 -1.839997
H 7.596184 -2.036488 1.258007
H 4.671174 2.040732 2.099834
H 2.086852 0.194292 -1.236385
H 0.519359 -1.486218 3.220917
H -1.730213 -0.281024 2.842880
H 3.420050 -3.522439 4.082166
H 2.376198 -2.113261 4.509253
H 1.687257 -3.509373 3.577738
H -3.854330 -0.632399 -0.407735
H -5.489596 2.692164 1.891688
H -7.713968 2.389223 0.734113
H -9.135555 1.127616 -0.991985
H -9.306267 -0.706290 -2.692301


