%chk=000190930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190930

0 1
O 4.916168 0.411581 0.452485
O 5.377829 0.460169 -1.786954
N -0.667051 -0.214869 0.518140
N -3.715444 -2.948496 -0.783625
C -2.542270 -1.767245 1.070060
C -1.175455 -1.195294 1.525924
C -2.367102 -2.614442 -0.212702
C -3.146324 -2.596913 2.206082
C 0.766004 -0.008218 0.504646
C -1.417983 1.011678 0.358689
C 1.375310 0.335642 -0.728619
C -1.385332 1.650342 -0.906757
C 1.557219 -0.187354 1.656459
C -2.208244 1.545389 1.393015
C 0.600201 0.543848 -1.958245
C -0.606279 1.124617 -2.034420
C -3.606223 -4.104319 -1.724850
C -4.300776 -1.768604 -1.489423
C 2.771450 0.474579 -0.791926
C -2.149046 2.813662 -1.097077
C 2.941749 -0.059266 1.594681
C 3.524916 0.273832 0.362778
C -2.961883 2.699073 1.176641
C -2.930634 3.338100 -0.066343
C 5.763220 0.494787 -0.648898
C 7.147650 0.624778 -0.117777
H -3.236427 -0.918212 0.841753
H -1.272907 -0.753646 2.541249
H -0.437197 -2.024762 1.603489
H -1.838832 -3.558050 0.036679
H -1.716219 -2.068675 -0.932183
H -4.077564 -3.073775 1.860673
H -3.393871 -1.983636 3.076402
H -2.482000 -3.402684 2.531997
H 1.092361 -0.424323 2.612715
H -2.233666 1.061986 2.368231
H 1.098505 0.194842 -2.869075
H -1.087303 1.249070 -3.010486
H -3.258073 -4.987532 -1.166263
H -2.933035 -3.945258 -2.579531
H -4.607949 -4.344275 -2.115051
H -4.362457 -0.922350 -0.783927
H -5.328370 -2.012679 -1.799169
H -3.738982 -1.432156 -2.372794
H 3.256378 0.732248 -1.738339
H -2.128336 3.315783 -2.064501
H 3.566944 -0.202758 2.473215
H -3.573166 3.104100 1.982090
H -3.513927 4.241279 -0.231065
H 7.180566 0.637094 0.984610
H 7.616287 1.555331 -0.477142
H 7.776571 -0.212122 -0.462261


%chk=000190930-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190930

0 1
O 4.993550 0.113274 0.406211
O 5.435673 0.454847 -1.883519
N -0.694048 0.032508 0.743008
N -3.495455 -2.889122 -0.849010
C -2.512095 -1.688670 1.144737
C -1.210717 -1.018308 1.657948
C -2.243445 -2.467098 -0.167537
C -3.096311 -2.618163 2.230194
C 0.731639 0.161242 0.615299
C -1.545829 1.152571 0.441806
C 1.346355 0.457879 -0.643240
C -1.561981 1.736400 -0.867018
C 1.564264 -0.103451 1.735357
C -2.447618 1.639734 1.423612
C 0.581889 0.762811 -1.862109
C -0.669405 1.312312 -1.955828
C -3.291995 -4.056724 -1.730984
C -4.149875 -1.777617 -1.571670
C 2.765045 0.442234 -0.752988
C -2.502823 2.768577 -1.139518
C 2.966974 -0.114688 1.624345
C 3.561877 0.156287 0.374749
C -3.368450 2.669220 1.131338
C -3.400383 3.240306 -0.160527
C 5.833667 0.268055 -0.713711
C 7.281218 0.169975 -0.281433
H -3.255279 -0.895291 0.936854
H -1.376944 -0.642972 2.693233
H -0.423516 -1.792172 1.728253
H -1.670330 -3.382588 0.083249
H -1.599191 -1.847666 -0.839514
H -3.955786 -3.169988 1.811941
H -3.438743 -2.050949 3.116338
H -2.343867 -3.357891 2.568837
H 1.107995 -0.306233 2.708952
H -2.438285 1.201022 2.426374
H 1.130579 0.610297 -2.801450
H -1.026233 1.557653 -2.965913
H -2.877817 -4.898314 -1.147549
H -2.598962 -3.855344 -2.588148
H -4.262798 -4.377362 -2.151418
H -4.353913 -0.937727 -0.886216
H -5.115809 -2.121260 -1.983824
H -3.528053 -1.383368 -2.416265
H 3.231354 0.643293 -1.718569
H -2.521478 3.201071 -2.147374
H 3.605014 -0.328732 2.486697
H -4.059007 3.015777 1.908303
H -4.115578 4.033414 -0.401832
H 7.369654 0.027050 0.804407
H 7.813190 1.088993 -0.582959
H 7.761083 -0.673206 -0.808622


