%chk=000220425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220425

0 1
O 4.886411 -0.378878 0.175315
O -4.877027 0.410435 0.219251
N 2.829349 0.304849 -0.535891
N -2.823882 -0.240792 -0.532619
C 3.373999 1.555728 -1.178413
C -3.372237 -1.461425 -1.228006
C 4.034226 2.470342 -0.124792
C -4.027436 -2.422451 -0.213270
C 1.395224 0.158798 -0.527815
C -1.389723 -0.095077 -0.525876
C 4.365931 1.177767 -2.282168
C -4.369613 -1.034054 -2.308590
C 0.693450 0.118901 -1.746816
C -0.694668 -0.000089 -1.745677
C 0.699176 0.072106 0.692672
C -0.686948 -0.063521 0.693424
C 3.013114 3.131426 0.793467
C -3.001913 -3.124197 0.669210
C 3.688968 -0.621480 0.094908
C -3.679921 0.656265 0.143690
C 3.087132 -1.877387 0.608041
C -3.074978 1.887626 0.709913
C 3.739354 -2.610504 1.520547
C -3.721891 2.578516 1.658434
C 3.227840 -3.893218 2.070427
C -3.207017 3.834965 2.263093
H 2.504737 2.098685 -1.636600
H -2.505494 -1.983356 -1.714528
H 4.633779 3.244175 -0.642019
H 4.767507 1.882791 0.471451
H -4.629779 -3.172209 -0.761778
H -4.757581 -1.862286 0.412444
H 5.254632 0.678124 -1.860298
H 3.926313 0.485130 -3.006772
H 4.712462 2.060959 -2.826786
H -5.256126 -0.554075 -1.860121
H -3.933555 -0.309288 -3.003309
H -4.718935 -1.891750 -2.890862
H 1.235231 0.179370 -2.690948
H -1.241645 -0.017952 -2.688582
H 1.246145 0.103810 1.635544
H -1.228727 -0.137848 1.636897
H 2.408645 2.385785 1.324032
H 3.509717 3.748288 1.551500
H 2.325353 3.780101 0.240108
H -2.394551 -2.403187 1.229671
H -3.494880 -3.774446 1.401267
H -2.317142 -3.747421 0.083813
H 2.129000 -2.181677 0.189460
H -2.119170 2.210670 0.300163
H 4.712985 -2.285609 1.911551
H -4.693364 2.236156 2.039776
H 3.910245 -4.722861 1.826131
H 2.236292 -4.169308 1.685751
H 3.151835 -3.854438 3.167564
H -3.890624 4.674808 2.060581
H -2.217603 4.128293 1.885750
H -3.124820 3.746413 3.356889


%chk=000220425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220425

0 1
O 4.958333 -0.290174 0.372797
O -4.948053 0.306231 0.413820
N 2.860452 0.296522 -0.478029
N -2.852710 -0.233273 -0.472561
C 3.440007 1.473480 -1.230789
C -3.433071 -1.377714 -1.273544
C 4.073957 2.529363 -0.283624
C -4.059276 -2.475469 -0.369435
C 1.427561 0.150415 -0.469913
C -1.420119 -0.083676 -0.466196
C 4.421599 1.016688 -2.332080
C -4.420401 -0.876815 -2.350183
C 0.702139 0.114851 -1.689842
C -0.702492 0.009081 -1.687735
C 0.707951 0.074289 0.751371
C -0.692818 -0.062918 0.752690
C 3.108143 3.062719 0.793622
C -3.085481 -3.049429 0.679378
C 3.721402 -0.567712 0.229929
C -3.712579 0.594146 0.279144
C 3.141088 -1.848910 0.739114
C -3.134788 1.852848 0.844357
C 3.884434 -2.675533 1.525838
C -3.878755 2.639174 1.670775
C 3.433531 -4.012171 2.052804
C -3.431731 3.951243 2.259046
H 2.564349 1.950699 -1.711635
H -2.558443 -1.831338 -1.778520
H 4.414118 3.367857 -0.924910
H 4.968413 2.088593 0.187470
H -4.399714 -3.287460 -1.043815
H -4.952820 -2.058140 0.124213
H 5.303514 0.528889 -1.887093
H 3.939190 0.306079 -3.027897
H 4.760839 1.893417 -2.913737
H -5.305883 -0.418088 -1.882021
H -3.944706 -0.129872 -3.011696
H -4.752948 -1.727713 -2.972710
H 1.242497 0.163589 -2.641395
H -1.249053 0.004187 -2.636986
H 1.254218 0.115129 1.699539
H -1.232931 -0.147886 1.701396
H 2.799083 2.257879 1.484473
H 3.592944 3.851750 1.396695
H 2.192640 3.493917 0.344560
H -2.775334 -2.271926 1.400244
H -3.563471 -3.864499 1.252472
H -2.171024 -3.457805 0.207327
H 2.126078 -2.129997 0.438784
H -2.121675 2.151262 0.554470
H 4.898533 -2.337302 1.786614
H -4.890925 2.285249 1.917904
H 4.105530 -4.818461 1.698067
H 2.403382 -4.257006 1.741162
H 3.478572 -4.034987 3.159427
H -4.106691 4.770914 1.942654
H -2.402577 4.213964 1.958841
H -3.476225 3.922344 3.365552


