%chk=000145876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000145876

0 1
O -1.748046 1.800839 -1.984949
O -4.161455 0.457202 0.860489
O 5.140292 -1.050872 2.022203
O -4.926308 -1.256248 2.120187
C -1.302580 0.705469 -1.123373
C -0.731031 -0.701952 -1.361412
C 0.575959 -0.577950 -0.454998
C -0.318161 1.693058 -1.768798
C 1.473527 0.711533 -0.660521
C 0.708278 2.078865 -0.741152
C 2.489650 0.681380 0.484511
C -1.949302 0.933480 0.235586
C 3.445156 -0.542653 0.309855
C -1.659110 -1.819670 -0.819626
C 1.463723 -1.833752 -0.560923
C 2.620869 -1.826749 0.457863
C -0.416004 -0.985107 -2.830911
C -2.861335 -0.215656 0.667033
C -3.031780 -1.290749 -0.404018
C 3.440982 1.870218 0.719297
C 4.490556 -0.247338 1.406383
C 4.573114 1.267904 1.577705
C 4.234615 -0.553711 -1.007828
C -5.121999 -0.176457 1.611072
C -6.341411 0.676330 1.664010
H 0.197728 -0.529893 0.598860
H 0.133748 1.509520 -2.758444
H 2.012116 0.594471 -1.633516
H 0.294833 2.392709 0.229465
H 1.382691 2.887363 -1.065490
H 1.916024 0.540456 1.439371
H -2.563826 1.868691 0.174051
H -1.186025 1.135598 1.010580
H -1.187027 -2.337306 0.039086
H -1.797442 -2.610184 -1.583241
H 1.872347 -1.924601 -1.585705
H 0.850110 -2.741559 -0.402680
H 2.229582 -1.916718 1.488786
H 3.262648 -2.716843 0.311299
H 0.380828 -0.341838 -3.222166
H -0.095392 -2.020986 -2.986282
H -1.304364 -0.815199 -3.455063
H -2.569129 -0.648656 1.647927
H -3.570203 -0.868630 -1.277809
H -3.669528 -2.111960 -0.019297
H 2.937668 2.704210 1.232662
H 3.829405 2.275804 -0.229765
H 4.469456 1.535156 2.644751
H 5.569303 1.636164 1.277821
H 4.798919 0.372045 -1.164006
H 4.948412 -1.387238 -1.027775
H 3.567718 -0.675840 -1.870436
H -6.231219 1.603048 1.077596
H -6.575499 0.959154 2.702108
H -7.214584 0.131848 1.271429


%chk=000145876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145876

0 1
O -1.935825 1.781031 -1.757131
O -4.332480 0.539675 0.669436
O 5.437238 -1.106303 1.756904
O -5.383216 -1.057805 2.011891
C -1.320768 0.639784 -0.895268
C -0.751752 -0.764993 -1.208932
C 0.668347 -0.611700 -0.439428
C -0.437984 1.678194 -1.468031
C 1.495024 0.759243 -0.595062
C 0.647998 2.108120 -0.499215
C 2.636270 0.686801 0.439687
C -1.891471 0.759030 0.520271
C 3.606113 -0.507584 0.166214
C -1.622548 -1.878120 -0.523325
C 1.606182 -1.827311 -0.686283
C 2.837030 -1.842600 0.262812
C -0.620807 -1.087667 -2.714242
C -3.051909 -0.243622 0.747076
C -3.066835 -1.371292 -0.302000
C 3.581719 1.895544 0.673529
C 4.693198 -0.246505 1.228578
C 4.721397 1.270914 1.531181
C 4.362259 -0.409055 -1.199288
C -5.429917 0.010066 1.355332
C -6.646240 0.897294 1.196579
H 0.402054 -0.654878 0.639664
H 0.024257 1.419394 -2.431432
H 1.946524 0.766605 -1.609496
H 0.290832 2.298364 0.528218
H 1.267154 2.964005 -0.823306
H 2.159968 0.475569 1.426102
H -2.264309 1.783551 0.681730
H -1.110946 0.568313 1.280807
H -1.185808 -2.171643 0.453590
H -1.637312 -2.792950 -1.143138
H 1.943897 -1.834596 -1.740674
H 1.032133 -2.763043 -0.540020
H 2.496173 -1.994299 1.306686
H 3.500751 -2.692694 0.018171
H -0.007741 -0.358497 -3.271780
H -0.164892 -2.083407 -2.855219
H -1.621537 -1.104917 -3.183559
H -3.007293 -0.682429 1.762013
H -3.466090 -0.966969 -1.252278
H -3.735913 -2.183589 0.031225
H 3.079033 2.729910 1.191904
H 3.973099 2.290666 -0.282448
H 4.535748 1.403508 2.614732
H 5.726476 1.684612 1.333252
H 4.895695 0.550489 -1.319616
H 5.109877 -1.220374 -1.255816
H 3.675548 -0.519819 -2.055231
H -6.421970 1.774589 0.573430
H -6.992953 1.224246 2.192391
H -7.465980 0.315342 0.740616


