%chk=000216076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216076

0 1
O -3.586097 0.109414 0.169593
O -3.446879 2.735806 0.258527
N 2.570855 0.334390 0.013092
C 1.291934 -0.393865 0.326780
C 0.071671 0.510412 0.265718
C 1.103009 -1.536351 -0.699111
C 2.637355 1.637107 0.751216
C 0.183302 1.901536 0.265278
C 1.531930 2.559658 0.220900
C -1.200785 -0.127514 0.220858
C -0.143367 -2.301890 -0.362453
C -1.271464 -1.597981 0.128086
C 3.767045 -0.511838 0.347343
C -0.969261 2.715678 0.259635
C -2.338686 0.688728 0.210798
C -2.212699 2.107371 0.241065
C -0.193401 -3.690039 -0.516372
C -2.414156 -2.321311 0.496427
C 4.975740 0.032405 -0.365771
C -1.349742 -4.394825 -0.163863
C -2.452895 -3.712084 0.350852
C 6.216273 -0.107832 0.095477
C -3.463664 4.165501 0.032084
H 1.320001 -0.836693 1.362744
H 1.996823 -2.190613 -0.720454
H 1.025751 -1.110291 -1.724015
H 3.632284 2.097021 0.562214
H 2.540592 1.517437 1.852199
H 1.752170 2.828657 -0.837611
H 1.536146 3.509148 0.790138
H 3.584950 -1.551314 -0.025536
H 3.944499 -0.602456 1.441511
H -0.868233 3.796040 0.269129
H 0.666825 -4.227378 -0.909166
H -3.287059 -1.798688 0.898713
H 4.756785 0.537254 -1.311052
H -1.384164 -5.475461 -0.287633
H -3.348973 -4.258706 0.637194
H -4.294376 0.806959 0.069341
H 7.085302 0.259163 -0.430961
H 6.466706 -0.597933 1.024110
H -2.970196 4.680502 0.861722
H -4.540344 4.378464 0.020269
H -3.001810 4.405109 -0.930115


%chk=000216076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216076

0 1
O -3.662896 0.175903 0.184186
O -3.461972 2.774262 0.196855
N 2.585393 0.278279 -0.035058
C 1.307388 -0.443943 0.221990
C 0.080165 0.478759 0.193775
C 1.057430 -1.574425 -0.805402
C 2.651174 1.569954 0.694297
C 0.208486 1.884248 0.182894
C 1.584058 2.528862 0.155555
C -1.215352 -0.151502 0.185818
C -0.178683 -2.354469 -0.395784
C -1.304649 -1.636528 0.117898
C 3.781121 -0.556083 0.266712
C -0.949882 2.704750 0.184765
C -2.356230 0.689307 0.199139
C -2.214302 2.105657 0.195928
C -0.226771 -3.761265 -0.503278
C -2.452683 -2.373333 0.522143
C 5.040737 0.020138 -0.347184
C -1.375933 -4.481747 -0.106376
C -2.486631 -3.779632 0.413395
C 6.218494 0.188804 0.303871
C -3.449327 4.235203 0.145000
H 1.337914 -0.922062 1.240599
H 1.921067 -2.258202 -0.873961
H 0.928448 -1.106385 -1.802267
H 3.659454 1.995545 0.547335
H 2.507932 1.422800 1.796281
H 1.849963 2.802777 -0.884600
H 1.582878 3.463181 0.750060
H 3.618202 -1.562085 -0.163144
H 3.925054 -0.697605 1.367983
H -0.836909 3.793879 0.179008
H 0.645195 -4.296190 -0.899550
H -3.320280 -1.837577 0.909776
H 4.950509 0.290186 -1.409658
H -1.400757 -5.573811 -0.194705
H -3.381786 -4.325166 0.732807
H -4.284434 0.953060 0.134612
H 7.107062 0.575681 -0.207406
H 6.329329 -0.061642 1.366834
H -2.949093 4.657426 1.037472
H -4.506189 4.539647 0.131812
H -2.942996 4.594043 -0.771528


