%chk=000286104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286104

0 1
O 3.448999 -2.274707 -1.610023
O 6.937201 -3.242260 0.728391
O 6.718980 -1.270636 1.773738
O 8.463021 2.629462 -0.987350
O 9.369776 0.770926 -1.843188
N -1.387958 1.374959 0.586298
N 4.618418 -0.876814 -0.250948
N -4.808413 1.201737 -0.090362
N -4.358980 -1.613265 -0.307724
N -6.692781 -2.004140 -0.017742
N -8.256485 -0.102851 0.293004
N -7.509861 2.110581 0.324321
N -9.001859 -2.337858 0.283294
C 5.895376 -1.539242 -0.553393
C 6.869707 -0.651016 -1.346848
C -0.205128 0.718151 0.252941
C -2.438875 1.669541 -0.413888
C -1.667499 1.850349 1.965042
C 2.192197 -0.613481 -0.417483
C 7.216987 0.666014 -0.650922
C 0.011280 0.239114 -1.068020
C 0.805176 0.506374 1.231662
C 3.414621 -1.343663 -0.823063
C -3.594460 0.700514 -0.290307
C 1.188430 -0.422256 -1.384739
C 1.976162 -0.154746 0.892704
C 6.536756 -1.936858 0.781498
C -1.054293 3.200353 2.232872
C -3.376513 -0.734466 -0.394890
C 8.453619 1.273813 -1.238820
C -5.853731 0.310475 -0.000792
C -5.660844 -1.117086 -0.106336
C -7.218346 0.778176 0.205767
C -1.390983 3.943854 3.283537
C -7.950265 -1.461605 0.181199
H 5.683763 -2.479783 -1.158833
H 6.425434 -0.444212 -2.345181
H 7.800220 -1.227866 -1.557885
H -2.024116 1.620370 -1.451410
H -2.795270 2.721354 -0.274503
H -1.282869 1.105196 2.705202
H -2.773955 1.880032 2.118846
H 4.655121 -0.048917 0.335696
H 7.383093 0.514673 0.446503
H 6.372071 1.387611 -0.710491
H -0.740999 0.388415 -1.839779
H 0.667182 0.857595 2.251465
H 1.345032 -0.807056 -2.397919
H 2.731289 -0.327793 1.663379
H -0.302170 3.525026 1.510341
H -2.356207 -1.123918 -0.546616
H 7.368021 -3.556358 1.570975
H -0.945006 4.907268 3.490700
H -2.129131 3.658277 4.019365
H 9.277232 3.080291 -1.337567
H -6.781517 2.805061 0.246266
H -8.461600 2.420137 0.452435
H -8.844776 -3.330991 0.192186
H -9.941774 -1.998855 0.409393


%chk=000286104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286104

0 1
O 3.547077 -1.308621 -2.187514
O 7.669356 -3.112706 0.143219
O 6.302506 -2.136556 1.745594
O 8.457074 2.412275 -0.985080
O 8.239687 1.146071 -2.919072
N -1.321243 1.411027 1.165050
N 4.610790 -1.129461 -0.139787
N -4.804258 1.183838 -0.106962
N -4.357815 -1.578473 0.545885
N -6.648971 -2.046021 0.106338
N -8.169371 -0.222545 -0.605780
N -7.370550 1.980329 -0.854799
N -8.906697 -2.418983 -0.345455
C 5.809122 -1.798718 -0.655139
C 6.699475 -0.879724 -1.546808
C -0.133393 0.858199 0.664168
C -2.446938 1.763711 0.288892
C -1.451677 1.835093 2.578529
C 2.294680 -0.309874 -0.358861
C 7.191447 0.374845 -0.806323
C -0.082007 0.270531 -0.641671
C 1.071311 0.851039 1.437630
C 3.506457 -0.942435 -0.964864
C -3.576862 0.738241 0.261261
C 1.105263 -0.288688 -1.133392
C 2.249519 0.274023 0.934932
C 6.579803 -2.344913 0.540634
C -1.067692 3.290768 2.794096
C -3.379619 -0.647563 0.584154
C 7.991198 1.297209 -1.703871
C -5.811199 0.256796 -0.157005
C -5.621302 -1.138038 0.163627
C -7.156251 0.667807 -0.546756
C -1.888573 4.220257 3.342927
C -7.856776 -1.538724 -0.274569
H 5.498971 -2.648682 -1.295656
H 6.091864 -0.593927 -2.421578
H 7.554147 -1.471390 -1.917722
H -2.078763 1.938838 -0.739263
H -2.873949 2.729138 0.621447
H -0.833988 1.167475 3.207456
H -2.500290 1.677659 2.893679
H 4.558552 -1.004162 0.874578
H 7.826899 0.124603 0.065967
H 6.335713 0.949644 -0.402347
H -0.981117 0.222829 -1.263677
H 1.100129 1.319123 2.425555
H 1.138708 -0.738710 -2.131184
H 3.145860 0.322461 1.565308
H -0.062363 3.578799 2.454501
H -2.387102 -0.996847 0.888232
H 8.150712 -3.454733 0.944677
H -1.571754 5.260265 3.478729
H -2.900223 3.964550 3.684158
H 8.972998 3.001807 -1.599935
H -6.578128 2.620826 -0.803522
H -8.297863 2.290936 -1.134960
H -8.741450 -3.396153 -0.117585
H -9.822639 -2.081366 -0.628085


