%chk=000216589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216589

0 1
O -1.461678 2.618464 0.805680
O -5.572458 -0.008175 -1.600291
O -5.974673 -1.832571 0.083085
N 4.547539 -1.220903 -0.318655
N -0.159413 0.728086 0.520059
C 3.347740 -1.801320 0.363749
C 2.116996 -0.983745 -0.060964
C 4.800869 0.188484 0.124641
C 2.270226 0.461607 0.319314
C 3.559538 1.008531 0.384587
C 5.751866 -2.086050 -0.080800
C 1.153205 1.299310 0.582430
C 6.927433 -1.681610 -0.989550
C 3.740512 2.364801 0.708718
C 1.342452 2.651654 0.904208
C 2.635787 3.174141 0.963535
C 6.620112 -1.895382 -2.468638
C -1.384176 1.417753 0.643839
C -2.571780 0.506638 0.536633
C -3.476091 0.730389 -0.524659
C -2.794651 -0.494259 1.472256
C -4.597979 -0.076038 -0.633104
C -3.932125 -1.318349 1.371153
C -4.829497 -1.120008 0.329574
C -5.465083 1.067055 -2.567330
C -6.317226 -2.884601 1.020637
H 3.230102 -2.853925 0.027671
H 3.433770 -1.815405 1.471254
H 1.998224 -1.047894 -1.167095
H 1.209793 -1.438480 0.383090
H 5.451249 0.240642 1.029291
H 5.371403 0.664064 -0.712508
H 6.084845 -2.077502 0.979952
H 5.462726 -3.134899 -0.316832
H 7.203298 -0.623712 -0.815330
H 7.816800 -2.276289 -0.700310
H 4.741743 2.785314 0.756659
H 0.482666 3.300590 1.102423
H 2.776273 4.226249 1.211236
H -0.194268 -0.282588 0.344218
H 7.427372 -1.521189 -3.105410
H 5.695305 -1.370918 -2.752107
H 6.469093 -2.954267 -2.703080
H -3.284490 1.540132 -1.227050
H -2.103142 -0.646440 2.300835
H -4.093972 -2.093448 2.114746
H -5.502898 2.038921 -2.066405
H -4.559575 0.949874 -3.168863
H -6.365497 0.902612 -3.174485
H -7.256962 -3.258746 0.591421
H -5.548948 -3.662368 1.019185
H -6.481653 -2.468728 2.018590


%chk=000216589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216589

0 1
O -1.503500 2.606258 -0.099261
O -6.145499 0.522725 -0.891184
O -6.017003 -1.962196 0.010321
N 4.628940 -1.242397 0.135936
N -0.070893 0.749987 0.103846
C 3.463202 -1.699908 0.921369
C 2.180869 -1.014842 0.411916
C 4.894259 0.189043 0.395435
C 2.350219 0.496018 0.287906
C 3.647671 1.060910 0.292691
C 5.829250 -2.091057 0.335635
C 1.214666 1.361022 0.156305
C 6.944179 -1.843263 -0.705783
C 3.811321 2.465583 0.205683
C 1.383821 2.766721 0.073757
C 2.686251 3.306952 0.107156
C 6.480736 -2.091686 -2.156226
C -1.329599 1.351451 0.018541
C -2.496592 0.400587 0.049746
C -3.736097 0.905306 -0.427599
C -2.440636 -0.921969 0.546052
C -4.893159 0.107997 -0.435989
C -3.597107 -1.734637 0.546629
C -4.825205 -1.240392 0.053896
C -6.252235 1.901217 -1.382227
C -5.990071 -3.339646 0.510702
H 3.368918 -2.795351 0.808754
H 3.589852 -1.485945 2.015304
H 1.918318 -1.449673 -0.574669
H 1.360009 -1.264212 1.118804
H 5.350700 0.329567 1.414303
H 5.639321 0.553721 -0.334612
H 6.254502 -1.955936 1.365919
H 5.503550 -3.146875 0.255351
H 7.336496 -0.812074 -0.607624
H 7.790431 -2.514592 -0.457430
H 4.821484 2.892963 0.209380
H 0.503493 3.403436 -0.022398
H 2.816363 4.392695 0.040808
H -0.070456 -0.270154 0.084789
H 7.287058 -1.869319 -2.878993
H 5.606477 -1.461568 -2.394909
H 6.177997 -3.146602 -2.297902
H -3.748543 1.942424 -0.774650
H -1.523146 -1.331739 0.985221
H -3.536255 -2.750977 0.946107
H -6.002508 2.630407 -0.587779
H -5.594486 2.067358 -2.257057
H -7.304977 2.014999 -1.678267
H -7.017285 -3.708242 0.377970
H -5.288432 -3.966278 -0.073609
H -5.715971 -3.372317 1.583137


