%chk=000180074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180074

0 1
O 2.642168 -0.604186 -0.616559
O 5.365144 -0.278350 2.296931
O 6.266035 -1.155010 -0.396256
O 3.397563 1.942128 1.938017
O 3.661502 -1.574665 -3.422060
O 0.395154 2.142282 -0.898113
O -2.321878 1.444975 -1.696792
N 1.056576 0.494109 0.581013
N -1.257616 0.991675 0.297379
C 4.848217 0.190670 1.044308
C 4.918745 -0.981045 0.034090
C 3.405456 0.630738 1.392833
C 3.968563 -0.762253 -1.158834
C 2.454436 0.609139 0.159623
C 3.863060 -1.993523 -2.073082
C 0.083914 1.270731 -0.119090
C -3.716377 1.185282 0.296117
C -2.417346 1.242654 -0.514823
C -4.914043 1.623246 -0.574559
C -3.936438 -0.207696 0.838762
C -4.876389 3.112896 -0.893566
C -3.918369 -1.316972 -0.020729
C -4.168110 -0.392807 2.209254
C -4.127574 -2.599959 0.490268
C -4.378144 -1.679329 2.714597
C -4.356642 -2.784065 1.858072
H 5.463202 1.053649 0.707312
H 4.704115 -1.945800 0.559430
H 3.024970 0.015011 2.248581
H 4.238353 0.139500 -1.753310
H 2.611006 1.499937 -0.502269
H 3.044574 -2.663440 -1.749929
H 4.822816 -2.549594 -2.117304
H 0.800220 -0.412200 0.977072
H 6.284729 -0.614805 2.172744
H 6.544059 -0.450194 -1.019827
H 3.739222 2.608223 1.304559
H -3.623779 1.918574 1.142177
H 2.759532 -1.195450 -3.529719
H -1.398412 0.591663 1.231456
H -5.854180 1.368417 -0.045400
H -4.921474 1.039177 -1.518754
H -4.885115 3.734225 0.007706
H -3.977239 3.373609 -1.472384
H -5.740413 3.406385 -1.502130
H -3.744087 -1.178232 -1.088406
H -4.196458 0.461632 2.883306
H -4.114071 -3.458986 -0.180094
H -4.561441 -1.819460 3.779378
H -4.520737 -3.785007 2.253704


%chk=000180074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180074

0 1
O 2.705096 -0.719204 -0.864234
O 5.322896 -0.298174 2.355809
O 6.458306 -0.817336 -0.312618
O 2.789275 0.981982 2.455268
O 3.494811 -1.236283 -3.569303
O 0.459202 1.759001 -1.405285
O -2.445246 1.458402 -1.978451
N 0.922021 0.282975 0.349795
N -1.285107 0.985909 0.013189
C 4.635278 0.044043 1.107966
C 5.010528 -0.919444 -0.033074
C 3.132020 0.003073 1.427927
C 4.129716 -0.635527 -1.268510
C 2.337447 0.324222 0.146331
C 4.275355 -1.649489 -2.406896
C 0.063428 1.060552 -0.443480
C -3.730841 1.281278 0.140620
C -2.449107 1.266281 -0.741080
C -4.985127 1.640005 -0.700975
C -3.884473 -0.049177 0.886783
C -5.014110 3.114488 -1.156088
C -4.001066 -1.269169 0.167858
C -3.926944 -0.087214 2.304100
C -4.157705 -2.493671 0.851623
C -4.084594 -1.313851 2.991450
C -4.199656 -2.521357 2.266535
H 4.902464 1.083579 0.801824
H 4.879200 -1.964119 0.299597
H 2.883002 -1.028515 1.764496
H 4.335891 0.388986 -1.660624
H 2.607248 1.319323 -0.259565
H 3.961413 -2.649564 -2.038110
H 5.323197 -1.703365 -2.743527
H 0.546695 -0.389718 1.019930
H 6.281955 -0.444439 2.147377
H 6.638881 0.042905 -0.775001
H 3.458517 0.883869 3.182906
H -3.584735 2.081645 0.897057
H 2.571976 -1.043214 -3.257118
H -1.445711 0.682355 0.979023
H -5.880073 1.416884 -0.089275
H -5.021956 0.980561 -1.588151
H -4.976722 3.802469 -0.289427
H -4.161150 3.337504 -1.818338
H -5.943379 3.329727 -1.714165
H -3.965410 -1.256863 -0.928298
H -3.853640 0.849048 2.872518
H -4.246940 -3.426681 0.283918
H -4.121708 -1.324623 4.086563
H -4.323420 -3.472571 2.795831


