%chk=000296734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296734

0 1
O 5.654349 2.071810 -0.216110
O 6.178117 0.280343 0.876411
N -0.379023 -2.230110 0.200625
N -2.700533 -2.166880 -0.507849
N 5.393438 0.973721 0.249646
C -0.994509 -0.881672 0.478107
C 0.073389 -1.039633 -0.603406
C -2.434196 -0.986147 -0.020681
C -1.491087 -3.036023 -0.432333
C 1.457105 -0.542093 -0.358531
C -3.378187 0.132237 0.075994
C 1.812851 0.716328 -0.877592
C 2.394937 -1.299538 0.360193
C -2.903177 1.449779 0.199984
C -4.761990 -0.110696 0.039596
C 3.098043 1.215517 -0.679877
C 3.684407 -0.809172 0.560710
C 4.028344 0.447612 0.039129
C -3.807121 2.509685 0.290353
C -5.659843 0.955950 0.132737
C -5.184917 2.264683 0.258785
H -0.806485 -0.377669 1.426152
H -0.229222 -0.954658 -1.662847
H -1.694623 -3.908983 0.233332
H -1.224212 -3.420631 -1.439514
H 1.084656 1.305621 -1.435299
H 2.108147 -2.276031 0.764776
H -1.832598 1.649048 0.221065
H -5.130317 -1.134351 -0.065554
H 3.391309 2.193892 -1.076493
H 4.427774 -1.390114 1.118423
H -3.438935 3.530440 0.385970
H -6.732201 0.764633 0.105482
H -5.886789 3.094903 0.331717


%chk=000296734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296734

0 1
O 5.914920 1.818260 -0.651613
O 6.113608 0.502958 1.201924
N -0.357600 -2.240659 0.117601
N -2.692283 -2.107611 -0.636762
N 5.450335 0.951871 0.187813
C -0.989183 -0.907445 0.482512
C 0.067214 -0.989555 -0.638600
C -2.417692 -0.971969 -0.017607
C -1.491928 -2.985960 -0.568710
C 1.465571 -0.518096 -0.430684
C -3.393615 0.122046 0.147819
C 2.025303 0.439622 -1.318907
C 2.241690 -0.989523 0.662790
C -2.989106 1.382728 0.665881
C -4.755435 -0.075248 -0.214555
C 3.330731 0.926243 -1.125102
C 3.548951 -0.514887 0.869778
C 4.075267 0.443629 -0.025892
C -3.927375 2.426335 0.816250
C -5.688818 0.967771 -0.062917
C -5.278537 2.222089 0.453989
H -0.732275 -0.448274 1.440776
H -0.332171 -0.855842 -1.654685
H -1.731860 -3.884019 0.028383
H -1.186790 -3.304764 -1.582420
H 1.433502 0.805139 -2.166037
H 1.811183 -1.753024 1.318139
H -1.941848 1.553429 0.939795
H -5.052757 -1.051106 -0.611098
H 3.780954 1.661228 -1.797265
H 4.167134 -0.869199 1.698818
H -3.607658 3.395662 1.213745
H -6.735653 0.808116 -0.343320
H -6.006879 3.031860 0.573260


