%chk=000187693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187693

0 1
O 3.864895 -0.382522 0.682998
O 6.965972 1.669603 -0.979843
O 4.203037 2.450204 -1.642024
O 6.964060 -1.284189 -0.947976
O 4.684369 -3.373169 1.105388
O 5.834902 -1.924653 2.378263
O -8.272972 0.992595 0.431318
N 2.375397 1.347055 0.539438
N -7.271841 -0.865075 -0.503239
C 5.803218 0.835040 -1.072240
C 4.577435 1.607798 -0.544273
C 6.163547 -0.375853 -0.182604
C 3.396769 0.647176 -0.240420
C 4.919253 -1.216543 0.181352
C 5.222479 -2.139938 1.364577
C 1.004619 0.934935 0.387597
C 0.472392 0.677269 -0.888920
C 0.169476 0.904001 1.521824
C -1.726242 0.361880 0.100541
C -0.885517 0.389949 -1.023523
C -1.187437 0.624989 1.371160
C -3.163195 0.059031 -0.050057
C -3.574918 -1.143526 -0.646816
C -4.131872 0.969549 0.402738
C -4.929484 -1.436900 -0.789494
C -5.490514 0.692670 0.265440
C -5.894849 -0.514463 -0.331456
C -8.386555 -0.087704 -0.109439
C -9.709189 -0.729822 -0.426093
H 5.658270 0.536561 -2.137362
H 4.848954 2.237184 0.332855
H 6.729040 -0.041229 0.721359
H 3.005741 0.169096 -1.168874
H 4.556813 -1.804572 -0.698198
H 2.662439 1.449314 1.525352
H 6.838638 2.476785 -1.533451
H 3.445425 3.026445 -1.378840
H 7.841577 -0.871454 -1.136761
H 1.106626 0.713383 -1.772395
H 0.574425 1.094720 2.513693
H 4.848842 -4.028481 1.838952
H -1.300173 0.195003 -2.013207
H -1.835341 0.600065 2.248453
H -2.828578 -1.857806 -0.995304
H -3.819613 1.908559 0.861941
H -5.229154 -2.374342 -1.250651
H -6.236376 1.413087 0.620745
H -7.442426 -1.766510 -0.952723
H -9.852627 -0.893927 -1.502101
H -10.529948 -0.070647 -0.093180
H -9.846888 -1.689919 0.088284


%chk=000187693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187693

0 1
O 3.903748 -0.553605 0.611214
O 7.063748 1.767604 -0.926958
O 4.390543 2.847458 -0.980920
O 7.169182 -1.118306 -1.096002
O 4.699162 -3.643906 0.134376
O 5.920590 -2.533961 1.772731
O -8.448986 1.190681 -0.146869
N 2.412406 1.322278 0.631519
N -7.363684 -0.876577 -0.410132
C 5.844612 0.953851 -0.926492
C 4.696506 1.650282 -0.188974
C 6.222876 -0.377017 -0.263731
C 3.475720 0.706252 -0.095371
C 4.972695 -1.267006 -0.127125
C 5.271994 -2.508853 0.708708
C 1.044003 0.954286 0.504455
C 0.614178 -0.113019 -0.325966
C 0.064892 1.700188 1.213439
C -1.752074 0.349744 0.228988
C -0.758523 -0.394611 -0.463417
C -1.301525 1.397372 1.080612
C -3.200779 0.047328 0.073051
C -3.658710 -1.274798 -0.186125
C -4.184961 1.069107 0.170297
C -5.027038 -1.555646 -0.340954
C -5.560286 0.807527 0.019729
C -5.994775 -0.519576 -0.240812
C -8.494041 -0.056396 -0.363216
C -9.816966 -0.782805 -0.603016
H 5.514726 0.763060 -1.971854
H 5.019253 1.924468 0.839755
H 6.645563 -0.178160 0.742315
H 3.132103 0.445465 -1.118261
H 4.620986 -1.575134 -1.132062
H 2.678590 1.751160 1.522437
H 6.843414 2.647164 -1.327489
H 3.543720 3.239010 -0.642680
H 7.961271 -0.537993 -1.233428
H 1.343656 -0.741572 -0.845020
H 0.377717 2.521924 1.869820
H 4.895106 -4.438325 0.702636
H -1.061487 -1.203731 -1.137310
H -2.029488 1.972283 1.663636
H -2.939413 -2.099577 -0.236381
H -3.869051 2.105155 0.336482
H -5.348821 -2.588401 -0.530128
H -6.299659 1.607070 0.088382
H -7.534853 -1.867718 -0.593181
H -10.297088 -0.363767 -1.504480
H -10.491784 -0.584612 0.247074
H -9.716067 -1.874941 -0.730503


