%chk=000213009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213009

0 1
O -2.974287 2.790807 0.712351
O -3.918041 0.861741 -0.242619
O -0.791477 -1.867929 0.212079
O 1.508252 3.670996 -0.423406
O 3.220594 1.806963 -0.669514
O 4.224954 -2.087838 1.312630
O -1.003920 -1.284444 2.407052
O -4.859857 -2.053734 0.872087
O 6.542757 -1.457505 -1.164376
N 3.908143 -0.761158 -0.557642
C -0.178156 0.462661 -0.123641
C -1.556706 0.955813 -0.086691
C 0.867030 1.416072 -0.277833
C -1.708860 2.352810 0.353434
C -0.728159 3.286994 0.282076
C 0.180514 -0.879683 0.002025
C 0.606747 2.864553 -0.174997
C 1.520006 -1.355098 -0.124471
C -2.677157 0.312915 -0.523971
C 2.192980 0.974195 -0.434276
C 2.529558 -0.417852 -0.364282
C -0.924363 4.714668 0.651676
C -2.852016 -0.873010 -1.399553
C -3.941169 1.752830 0.900236
C 1.797378 -2.808033 -0.018561
C -1.830962 -1.037689 -2.475237
C -3.880475 -1.722288 -1.264360
C 4.662917 -1.496078 0.344016
C -1.272572 -2.055090 1.528220
C -4.977047 -1.628071 -0.257506
C -2.110871 -3.274295 1.521342
C 6.181948 -1.551125 -0.018693
C -6.241970 -1.006702 -0.763348
C 7.064467 -1.723231 1.163776
H -1.943291 5.059761 0.426019
H -0.217156 5.366574 0.112544
H -0.752269 4.870000 1.727576
H -4.921052 2.255614 0.846513
H -3.723985 1.178854 1.817603
H 2.443159 -3.167136 -0.833350
H 2.347424 -3.024929 0.924387
H 0.883584 -3.418552 -0.016770
H 4.377179 -0.243641 -1.312596
H 2.908586 2.824928 -0.690396
H -1.040598 -1.739525 -2.145171
H -1.326657 -0.096847 -2.740355
H -2.259558 -1.445279 -3.400854
H -3.984388 -2.586815 -1.928416
H -1.950350 -3.871118 2.432121
H -3.193071 -2.999554 1.505983
H -1.937314 -3.916334 0.646126
H -6.077336 0.057393 -1.003759
H -6.607096 -1.485210 -1.681382
H -7.047579 -1.059076 -0.016434
H 8.070983 -2.064272 0.879240
H 7.183317 -0.776509 1.715902
H 6.644587 -2.446589 1.887047


%chk=000213009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213009

0 1
O -2.957309 2.998437 0.715523
O -3.946838 1.062562 -0.247969
O -0.827402 -1.778337 0.332705
O 1.659372 3.797617 -0.250725
O 3.283008 1.942018 -0.475112
O 4.276504 -2.258741 1.347120
O -0.853280 -1.137269 2.593608
O -4.823353 -1.384521 0.795388
O 6.560526 -0.703404 -0.923460
N 3.925036 -0.650969 -0.366326
C -0.172535 0.570928 -0.054110
C -1.546411 1.099119 -0.014357
C 0.894363 1.516362 -0.196184
C -1.681765 2.511702 0.381274
C -0.657139 3.443348 0.302357
C 0.180124 -0.793965 0.065241
C 0.659857 2.964594 -0.084921
C 1.513118 -1.279429 -0.059136
C -2.697745 0.453769 -0.497605
C 2.242192 1.064710 -0.307626
C 2.551392 -0.328296 -0.235792
C -0.877277 4.908942 0.587160
C -2.827945 -0.667328 -1.446243
C -3.914068 1.910612 0.933033
C 1.779295 -2.767429 -0.070259
C -1.768854 -0.846623 -2.523213
C -3.957847 -1.459293 -1.474375
C 4.682865 -1.519444 0.402111
C -1.247765 -1.909577 1.705288
C -5.025079 -1.590362 -0.441716
C -2.222337 -3.046919 1.842010
C 6.180518 -1.473907 -0.000170
C -6.384474 -2.056375 -0.948178
C 7.099759 -2.369382 0.791281
H -1.612332 5.350079 -0.110666
H 0.076885 5.448600 0.486384
H -1.275996 5.059048 1.606834
H -4.902830 2.371178 1.035863
H -3.605983 1.304146 1.806623
H 2.549889 -3.012601 -0.823097
H 2.180067 -3.104458 0.902279
H 0.859765 -3.327445 -0.298853
H 4.490261 0.006457 -0.928337
H 2.844641 2.912154 -0.451145
H -1.009798 -1.580509 -2.200673
H -1.247654 0.095603 -2.757948
H -2.230525 -1.232532 -3.448419
H -4.082957 -2.119984 -2.344269
H -2.159361 -3.463576 2.858966
H -3.241679 -2.644190 1.689867
H -2.037484 -3.828128 1.089071
H -6.806869 -1.308811 -1.646542
H -6.292523 -3.005334 -1.510212
H -7.075120 -2.196072 -0.102758
H 8.125380 -2.304303 0.399401
H 7.078976 -2.076002 1.857357
H 6.734039 -3.411569 0.763254


