%chk=000289944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289944

0 1
O 2.765255 2.131781 1.479556
O 0.037112 0.649662 -2.821157
N 2.610383 -0.047848 0.731342
N -0.580985 1.214395 -0.699430
N -0.105574 1.967204 0.416948
N -6.228120 -1.533195 0.776145
C 0.227859 -0.438400 0.878919
C 0.565351 1.008212 1.356251
C 1.576249 -1.086864 0.481839
C -0.725572 -0.245901 -0.332186
C 4.034554 -0.241904 0.350347
C 2.094228 1.162693 1.198585
C 4.629160 -1.461469 1.084701
C 4.180719 -0.390756 -1.178591
C -2.172389 -0.539808 -0.024631
C 6.107774 -1.626346 0.708756
C 5.659214 -0.562893 -1.549293
C 6.287703 -1.752999 -0.810656
C 0.040465 1.517444 -1.966257
C -2.942302 -1.226078 -0.978009
C -2.786412 -0.128393 1.165985
C 0.523758 2.913538 -2.171429
C -4.282734 -1.514077 -0.743768
C -4.127486 -0.408036 1.415686
C -4.901297 -1.115419 0.465616
C -7.106408 -1.869387 -0.378780
C -6.955328 -0.729590 1.797755
H -0.258677 -1.031197 1.679097
H 0.287253 1.200036 2.414321
H 1.785944 -1.985205 1.099400
H 1.590882 -1.406738 -0.582867
H -0.393274 -0.872241 -1.207666
H 4.579174 0.688702 0.682024
H -0.931131 2.392976 0.877705
H 4.072836 -2.381185 0.826863
H 4.524260 -1.332348 2.178196
H 3.759182 0.496659 -1.688028
H 3.597423 -1.255721 -1.545129
H 6.524459 -2.517605 1.214230
H 6.690242 -0.762763 1.085329
H 6.216821 0.364224 -1.312075
H 5.755083 -0.703442 -2.642578
H 7.363426 -1.823515 -1.057676
H 5.829798 -2.696520 -1.164547
H -2.487880 -1.531804 -1.923082
H -2.215951 0.421632 1.913050
H -0.293335 3.644397 -2.077358
H 0.973180 3.032141 -3.167292
H 1.275994 3.199592 -1.413538
H -4.846982 -2.055291 -1.500103
H -4.569985 -0.083772 2.354518
H -7.323526 -1.012666 -1.035793
H -8.061019 -2.277031 -0.007682
H -6.633894 -2.664402 -0.982746
H -7.149498 0.309512 1.489128
H -6.375665 -0.714943 2.737646
H -7.919618 -1.212646 2.026205


%chk=000289944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289944

0 1
O 2.621952 2.032936 1.611602
O -0.156785 0.144311 -3.152217
N 2.608468 -0.154085 0.721492
N -0.446196 0.794272 -0.953075
N -0.167717 1.675405 0.148054
N -6.425239 -0.989246 0.781420
C 0.252503 -0.683956 0.734422
C 0.485202 0.801372 1.189171
C 1.657611 -1.191576 0.277598
C -0.760730 -0.584862 -0.443062
C 4.067776 -0.238645 0.495243
C 2.014465 0.998054 1.213120
C 4.672777 -1.557161 1.034205
C 4.422549 -0.029652 -1.001677
C -2.230842 -0.724114 -0.070192
C 6.207480 -1.576809 0.826504
C 5.955923 -0.057603 -1.209695
C 6.576032 -1.365063 -0.661624
C -0.044990 1.049971 -2.265422
C -3.160689 -1.138649 -1.058515
C -2.743749 -0.400686 1.211335
C 0.458396 2.453607 -2.558616
C -4.536550 -1.230925 -0.789589
C -4.119583 -0.484244 1.502463
C -5.056495 -0.901802 0.504626
C -7.360620 -1.421502 -0.263721
C -6.926147 -0.650034 2.117890
H -0.136926 -1.308787 1.552518
H 0.071830 1.050079 2.181517
H 1.901387 -2.167993 0.734111
H 1.697622 -1.312898 -0.823012
H -0.518954 -1.281063 -1.263761
H 4.491605 0.610088 1.069238
H -1.060640 2.055772 0.504969
H 4.230812 -2.422444 0.497756
H 4.423328 -1.670574 2.106765
H 4.001151 0.933614 -1.345427
H 3.956665 -0.830708 -1.611618
H 6.622589 -2.535195 1.193533
H 6.669622 -0.772767 1.435194
H 6.410220 0.809334 -0.687260
H 6.190780 0.058614 -2.285020
H 7.676278 -1.345731 -0.782132
H 6.202226 -2.224419 -1.256294
H -2.793998 -1.381677 -2.063614
H -2.065135 -0.089801 2.016112
H -0.397391 3.126446 -2.753972
H 1.080974 2.417776 -3.465830
H 1.017845 2.867624 -1.704773
H -5.208946 -1.560057 -1.586551
H -4.462665 -0.229214 2.509047
H -7.337903 -0.745988 -1.143359
H -8.386197 -1.417063 0.137952
H -7.139567 -2.449185 -0.618827
H -6.699932 0.401771 2.389868
H -6.490803 -1.304050 2.901663
H -8.019981 -0.776415 2.143268


