%chk=000196428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196428

0 1
O 3.705910 -1.550512 1.095675
O -0.768492 -0.286935 1.145956
O 5.221986 -3.045838 1.633809
N 0.162703 1.531007 0.074340
N -2.388763 2.293419 -0.697671
N -6.215499 -0.182026 -0.322399
N -7.547644 -1.085995 -2.053275
N -7.989637 -1.786571 0.199105
C -3.406080 0.476581 0.758046
C -2.285491 1.514686 0.566966
C -4.742935 1.131922 1.114165
C -0.916299 0.795935 0.620294
C -5.897631 0.112451 1.085886
C 1.519789 1.120976 0.037631
C 4.278451 0.479730 -0.107784
C 3.339454 -0.373625 0.523095
C 1.968257 -0.069527 0.603080
C 2.441807 2.004292 -0.609023
C 5.669400 0.073668 -0.134980
C 3.780428 1.680062 -0.671614
C 6.030951 -1.105976 0.440021
C 6.681670 0.950441 -0.789950
C 5.091624 -1.987356 1.084578
C -7.162289 -1.011114 -0.664771
H -3.521497 -0.137415 -0.160044
H -3.110837 -0.249653 1.546801
H -2.292435 2.239418 1.428739
H -4.690333 1.591662 2.119546
H -4.974698 1.953594 0.406455
H -5.609574 -0.804280 1.647271
H -6.783269 0.541801 1.610286
H -0.063563 2.417155 -0.405009
H -3.158069 2.958009 -0.637482
H -2.602069 1.676138 -1.481091
H 1.289985 -0.773175 1.104023
H 2.083924 2.931098 -1.050313
H 4.475376 2.361453 -1.166697
H 7.063644 -1.457721 0.447235
H 6.450865 1.105252 -1.855151
H 7.699069 0.533806 -0.744463
H 6.724449 1.941528 -0.312586
H -7.121564 -0.352317 -2.619922
H -7.371348 -1.990283 -2.478212
H -8.680747 -2.386796 -0.228920
H -7.545578 -2.204069 1.002955


%chk=000196428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196428

0 1
O 4.141750 -0.139748 1.957810
O -0.494283 0.900912 2.933188
O 6.249145 -0.724397 2.692978
N -0.349767 1.068453 0.570917
N -2.804370 1.807048 0.191252
N -5.127818 0.247601 -0.441005
N -5.374881 0.426946 -2.773045
N -6.705833 -1.137911 -1.637723
C -3.341169 0.190643 2.042922
C -2.515190 1.432159 1.601722
C -4.879304 0.422015 2.033244
C -1.004767 1.111361 1.791771
C -5.611842 -0.267903 0.859673
C 0.992830 0.780195 0.284897
C 3.702416 0.208139 -0.444442
C 3.261400 0.176846 0.915327
C 1.935331 0.455950 1.292612
C 1.405775 0.818702 -1.085550
C 5.096961 -0.095405 -0.737376
C 2.730329 0.538796 -1.433680
C 5.952150 -0.406927 0.304940
C 5.598177 -0.068860 -2.165328
C 5.541264 -0.451532 1.702722
C -5.714784 -0.156134 -1.548607
H -3.085061 -0.654443 1.372760
H -2.993500 -0.086109 3.053712
H -2.742983 2.256710 2.309465
H -5.318413 0.039015 2.974738
H -5.099429 1.506839 1.997707
H -5.435095 -1.366679 0.946977
H -6.709189 -0.105888 0.975678
H -1.052851 1.307108 -0.177648
H -2.899473 2.821891 0.064408
H -3.640189 1.285785 -0.184122
H 1.637933 0.423833 2.342573
H 0.671485 1.069893 -1.859074
H 3.026854 0.574008 -2.486948
H 7.005012 -0.640673 0.124277
H 5.047520 -0.792585 -2.795412
H 6.670077 -0.319453 -2.213839
H 5.458637 0.930638 -2.618659
H -4.699091 1.186925 -2.736716
H -5.430433 -0.118439 -3.630825
H -7.318802 -1.194321 -2.447176
H -6.943129 -1.686104 -0.816494


