%chk=000245453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245453

0 1
O -1.710147 -1.841112 -0.201402
O 2.956617 -0.392262 0.731941
O 1.959078 1.408106 -0.210288
N -3.078306 -0.037922 -0.018707
C -3.298184 1.417712 0.165931
C -4.269375 -0.870265 -0.350967
C -0.628727 0.245257 0.337058
C -1.819592 -0.641840 0.019258
C 0.653622 -0.582333 0.390947
C -2.966826 2.210752 -1.097919
C -5.089033 -1.194165 0.896341
C 1.864118 0.290736 0.240826
C 4.269716 0.236971 0.617867
C 4.973673 -0.354857 -0.562772
C 6.206306 -0.005560 -0.920235
H -4.361496 1.586727 0.453302
H -2.687970 1.781900 1.023533
H -4.888087 -0.335926 -1.103560
H -3.915900 -1.819311 -0.828114
H -0.535485 1.045082 -0.437076
H -0.782801 0.779904 1.296920
H 0.706571 -1.182608 1.326678
H 0.649748 -1.359590 -0.415601
H -1.907412 2.121090 -1.374231
H -3.550398 1.864316 -1.959898
H -3.179860 3.277402 -0.962485
H -4.487507 -1.742849 1.634037
H -5.470193 -0.295178 1.391247
H -5.948522 -1.826116 0.643976
H 4.741994 -0.035496 1.581338
H 4.151556 1.336490 0.540729
H 4.392534 -1.105347 -1.104882
H 6.716785 -0.436424 -1.770692
H 6.801804 0.732914 -0.403000


%chk=000245453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245453

0 1
O -1.686546 -1.880730 -0.123793
O 3.040898 -0.522492 1.091597
O 2.101558 1.250267 -0.107098
N -2.991713 0.040611 -0.077987
C -3.171167 1.501467 0.075391
C -4.185158 -0.751319 -0.468242
C -0.557223 0.217806 0.472562
C -1.780164 -0.623695 0.071367
C 0.698645 -0.660062 0.608435
C -3.056424 2.276315 -1.257794
C -4.994292 -1.239126 0.752198
C 1.975942 0.147231 0.475398
C 4.406134 0.086282 0.913881
C 5.085307 -0.506330 -0.295426
C 5.479512 0.224500 -1.367423
H -4.170331 1.672680 0.520047
H -2.436182 1.892775 0.798566
H -4.814493 -0.123767 -1.127435
H -3.831204 -1.619628 -1.048747
H -0.368201 1.005568 -0.281774
H -0.753059 0.744776 1.426390
H 0.713837 -1.222171 1.556563
H 0.685251 -1.432710 -0.185265
H -2.049224 2.166525 -1.696801
H -3.791962 1.909122 -1.995830
H -3.244955 3.353356 -1.093922
H -4.376289 -1.910013 1.372775
H -5.334507 -0.394343 1.379716
H -5.888055 -1.799478 0.421059
H 4.922819 -0.182035 1.850604
H 4.301742 1.180924 0.824774
H 5.254139 -1.591809 -0.269876
H 5.983721 -0.239209 -2.222764
H 5.299945 1.304909 -1.421046


