%chk=000201321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201321

0 1
O -2.018821 -1.838764 1.538412
O -0.255951 1.532379 0.829985
N -4.076407 1.303129 -2.603851
C 2.387542 -1.523831 0.300667
C 2.895184 -0.562868 -0.782028
C 0.863489 -1.689513 0.227545
C 4.423854 -0.443996 -0.761407
C 0.332597 -2.500185 1.415403
C 4.923866 0.557434 -1.812282
C -1.118839 -2.945031 1.242189
C 6.446629 0.673199 -1.804326
C -2.461903 -1.101658 0.443791
C -2.188049 0.281402 0.441849
C -1.354501 0.894221 1.531701
C -3.245411 -1.693076 -0.554666
C -2.703007 1.067586 -0.588804
C -3.484007 0.480017 -1.606739
C -3.753934 -0.904342 -1.584748
C 0.779379 2.030172 1.715045
C 1.827721 2.583135 0.748301
C 3.031030 3.145814 1.492431
H 2.880206 -2.508954 0.194049
H 2.678487 -1.145104 1.299432
H 2.552960 -0.897844 -1.779004
H 2.435250 0.444226 -0.626847
H 0.582717 -2.172768 -0.726699
H 0.374985 -0.688489 0.210016
H 4.882336 -1.435444 -0.940037
H 4.765391 -0.132450 0.244295
H 0.418524 -1.898304 2.342948
H 0.962855 -3.397577 1.576315
H 4.472322 1.552004 -1.628097
H 4.577769 0.250435 -2.818645
H -1.416716 -3.676516 2.017582
H -1.321615 -3.357753 0.241995
H 6.793208 1.390817 -2.556167
H 6.820758 1.010258 -0.831128
H 6.925104 -0.288128 -2.023430
H -0.961168 0.128545 2.230118
H -1.912847 1.664638 2.093813
H -3.461454 -2.758608 -0.517324
H -2.484057 2.134923 -0.601636
H -4.370271 -1.355988 -2.357836
H 1.168017 1.197727 2.325902
H 0.351264 2.808335 2.368219
H 1.365090 3.355442 0.102900
H 2.143115 1.764961 0.051364
H 3.527206 2.380161 2.100488
H 3.778314 3.535815 0.790589
H 2.749609 3.968813 2.159561
H -3.601658 2.178736 -2.778609
H -4.309661 0.835369 -3.468796


%chk=000201321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201321

0 1
O -1.307645 -1.275663 0.553224
O -0.757132 1.910500 0.241080
N -6.285061 1.099769 -0.725532
C 2.960333 -1.864921 0.084134
C 3.866117 -0.789579 -0.557465
C 1.479826 -1.734004 -0.335863
C 5.348221 -0.896123 -0.133526
C 0.562509 -2.779697 0.336000
C 6.240297 0.205868 -0.749879
C -0.918235 -2.580190 -0.003977
C 7.721293 0.090542 -0.328307
C -2.561421 -0.744572 0.189769
C -2.791705 0.612420 0.555914
C -1.710666 1.400987 1.255071
C -3.570413 -1.473091 -0.479864
C -4.033550 1.203391 0.251332
C -5.059866 0.486813 -0.427751
C -4.806074 -0.863116 -0.788179
C 0.483706 2.400532 0.852864
C 1.402519 2.877071 -0.277391
C 2.755821 3.401087 0.251096
H 3.338667 -2.873599 -0.186318
H 3.034535 -1.791887 1.189841
H 3.794859 -0.861223 -1.663092
H 3.480877 0.216872 -0.288740
H 1.399907 -1.830463 -1.439154
H 1.105521 -0.723244 -0.084258
H 5.743603 -1.892211 -0.424073
H 5.418796 -0.845725 0.973575
H 0.681773 -2.730705 1.436473
H 0.856595 -3.803275 0.024946
H 5.845430 1.199885 -0.453928
H 6.164273 0.159469 -1.855575
H -1.545536 -3.380792 0.442509
H -1.075124 -2.575319 -1.103733
H 8.336551 0.889645 -0.781584
H 7.827225 0.164289 0.770735
H 8.146559 -0.882137 -0.640516
H -1.164241 0.751833 1.970140
H -2.146867 2.260550 1.809606
H -3.411955 -2.518019 -0.762963
H -4.200873 2.251048 0.533499
H -5.577868 -1.441986 -1.310491
H 0.970001 1.582487 1.434303
H 0.266446 3.236466 1.558958
H 0.880473 3.667648 -0.848439
H 1.563233 2.033735 -0.975680
H 3.302525 2.614308 0.805745
H 3.401499 3.735387 -0.580870
H 2.616432 4.259849 0.934988
H -6.446225 2.075527 -0.497829
H -7.009465 0.596066 -1.227027


