%chk=000272066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272066

0 1
O -5.151529 -0.016548 0.865476
O 0.950048 0.949417 -1.954431
N 1.431745 0.804572 0.301306
C -1.792258 0.624993 -0.116749
C -1.840835 -0.854511 -0.144369
C -3.081574 1.112773 0.266065
C -3.155762 -1.267364 0.240153
C -0.771159 1.521843 -0.380971
C -4.001168 -0.054167 0.517287
C -3.342826 2.463796 0.358696
C -0.881759 -1.792968 -0.474027
C -1.039723 2.909115 -0.294030
C -3.496755 -2.602008 0.302938
C -2.298410 3.370513 0.068731
C 0.596924 1.071195 -0.799861
C -1.234216 -3.160396 -0.408261
C -2.510132 -3.558880 -0.026392
C 2.796303 0.365079 0.240827
C 3.474822 0.176493 -0.975599
C 3.454006 0.121614 1.463408
C 5.467194 -0.499054 0.249805
C 4.800653 -0.252708 -0.961811
C 4.780845 -0.307259 1.458831
C 6.889218 -0.956635 0.240476
H -4.331866 2.825638 0.646982
H 0.121322 -1.505286 -0.789398
H -0.240503 3.617896 -0.523501
H -4.500322 -2.913228 0.595844
H -2.491096 4.441751 0.128541
H -0.483630 -3.909118 -0.667030
H -2.762180 -4.618169 0.017993
H 1.046780 0.926254 1.241836
H 2.969828 0.366056 -1.929094
H 2.940148 0.264022 2.411052
H 5.323763 -0.396942 -1.907032
H 5.284917 -0.493527 2.406209
H 7.544980 -0.205390 -0.223230
H 7.281389 -1.147421 1.247489
H 7.005817 -1.888142 -0.331757


%chk=000272066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272066

0 1
O -5.067350 -0.067164 1.059011
O 1.205471 2.030097 -1.833162
N 1.332001 0.702525 0.104894
C -1.738315 0.736192 -0.102400
C -1.678700 -0.760601 0.016863
C -3.067662 1.146130 0.238523
C -2.947339 -1.221806 0.490414
C -0.802887 1.723109 -0.500528
C -3.870534 -0.052097 0.657950
C -3.495511 2.477173 0.156114
C -0.681263 -1.707352 -0.295000
C -1.255085 3.071568 -0.627967
C -3.222895 -2.581831 0.693798
C -2.573077 3.451103 -0.304472
C 0.655057 1.487549 -0.825904
C -0.957372 -3.087281 -0.095280
C -2.206281 -3.526449 0.403419
C 2.692184 0.274145 0.096003
C 3.611676 0.619942 -0.930876
C 3.126245 -0.542619 1.173147
C 5.389491 -0.673044 0.209577
C 4.935873 0.143111 -0.859571
C 4.456368 -1.005973 1.223901
C 6.825369 -1.164646 0.263391
H -4.523360 2.738133 0.428458
H 0.287612 -1.410198 -0.704023
H -0.536600 3.814543 -0.989395
H -4.208464 -2.891766 1.056692
H -2.877208 4.497701 -0.405405
H -0.184074 -3.823890 -0.339796
H -2.389381 -4.596051 0.550006
H 0.781141 0.391417 0.909884
H 3.279892 1.251740 -1.756471
H 2.423769 -0.815527 1.971797
H 5.636805 0.416239 -1.658109
H 4.772873 -1.634677 2.064439
H 7.536766 -0.320375 0.337803
H 6.995849 -1.823230 1.132341
H 7.091916 -1.732541 -0.647662


