%chk=000184412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184412

0 1
O 2.713225 -3.488630 0.080589
O 0.891154 -2.529110 0.956867
N 0.018082 2.038625 -0.994661
N -1.332887 1.924477 -1.016259
C 2.057214 0.917734 -0.030665
C 0.613129 1.022957 -0.227095
C 2.757463 -0.264223 -0.344934
C -0.436257 0.238910 0.256579
C -1.643379 0.825948 -0.251062
C 2.063177 -1.463292 -0.930438
C 2.756155 2.016631 0.500271
C 4.141282 -0.330685 -0.116778
C -3.016713 0.372227 -0.027609
C 4.132357 1.942348 0.715650
C 4.825490 0.766191 0.408058
C -3.256260 -0.915049 0.485573
C -4.104253 1.214313 -0.321017
C 1.775689 -2.480490 0.137516
C -4.565877 -1.348502 0.702945
C -5.410727 0.772574 -0.101313
C -5.644685 -0.507500 0.411059
H -0.358724 -0.626917 0.892976
H 2.685263 -1.915996 -1.738278
H 1.100921 -1.178131 -1.422076
H 2.213500 2.925362 0.762212
H 0.479565 2.778262 -1.501575
H 4.682050 -1.250339 -0.346591
H 4.665717 2.797269 1.129856
H 5.899548 0.704978 0.581687
H -2.421236 -1.577421 0.714222
H -3.923350 2.212641 -0.722682
H -4.745754 -2.345484 1.101559
H -6.248810 1.428590 -0.330081
H -6.663489 -0.848522 0.582259
H 2.570419 -4.189549 0.772135


%chk=000184412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184412

0 1
O 3.038246 -3.448465 0.292028
O 0.916905 -2.756461 0.926307
N -0.012995 2.149750 -0.617407
N -1.392069 2.090639 -0.632695
C 2.058748 0.871178 -0.036086
C 0.592380 0.977989 -0.163442
C 2.787871 -0.314783 -0.364202
C -0.473727 0.112071 0.148275
C -1.679279 0.831747 -0.147514
C 2.108211 -1.574828 -0.908803
C 2.783572 2.012116 0.420206
C 4.196741 -0.326865 -0.208998
C -3.078476 0.389244 0.007314
C 4.185064 1.989418 0.554571
C 4.899193 0.809562 0.242506
C -3.382486 -0.909038 0.499391
C -4.150548 1.258781 -0.336511
C 1.913640 -2.618681 0.182602
C -4.723015 -1.326391 0.643451
C -5.488401 0.839242 -0.192081
C -5.782941 -0.455708 0.298787
H -0.375869 -0.882806 0.578466
H 2.737264 -2.019501 -1.697376
H 1.118388 -1.334371 -1.327524
H 2.229473 2.911430 0.713671
H 0.447987 2.977012 -0.991716
H 4.742323 -1.245889 -0.452033
H 4.714157 2.877939 0.915594
H 5.988505 0.775445 0.350816
H -2.572385 -1.595336 0.770410
H -3.914266 2.258555 -0.714490
H -4.940294 -2.330560 1.024891
H -6.303470 1.520862 -0.461126
H -6.823324 -0.781015 0.411274
H 2.903877 -4.092085 1.040340


