%chk=000218128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218128

0 1
O 0.311902 1.403322 1.597057
N -0.706086 3.221819 -1.048408
C -0.764664 0.826858 -0.476718
C -1.542876 2.166541 -0.404656
C -1.701012 -0.328032 -0.217401
C 0.383545 0.818514 0.537051
C 1.615037 0.064076 0.143578
C -2.110216 -1.145601 -1.281550
C -2.181253 -0.580831 1.077054
C -2.989326 -2.207286 -1.049714
C -3.058240 -1.643961 1.302903
C 1.536647 -1.198028 -0.459965
C 2.866672 0.638192 0.410133
C -0.091038 4.152853 -0.063130
C -3.463962 -2.459421 0.241085
C 2.708018 -1.878988 -0.802167
C 4.035546 -0.041417 0.056646
C 3.956235 -1.299599 -0.548998
H -0.320517 0.749181 -1.505795
H -2.507046 2.050547 -0.942779
H -1.791777 2.387153 0.657660
H -1.274637 3.758544 -1.710460
H -1.749526 -0.952906 -2.290427
H -1.864235 0.054013 1.907432
H -3.305464 -2.838941 -1.878436
H -3.426160 -1.837629 2.309684
H 0.565335 -1.656086 -0.653736
H 2.919987 1.613428 0.897428
H 0.648801 4.776294 -0.590995
H 0.453491 3.579433 0.710099
H -0.801643 4.814259 0.453413
H -4.147214 -3.287196 0.419416
H 2.648171 -2.861984 -1.266070
H 5.006759 0.407386 0.257868
H 4.867446 -1.830609 -0.821503


%chk=000218128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218128

0 1
O 0.471700 1.608354 1.387874
N -0.701728 3.289705 -1.034787
C -0.751413 0.821815 -0.572158
C -1.517247 2.181663 -0.509139
C -1.661572 -0.350993 -0.190067
C 0.486233 0.880986 0.349247
C 1.694176 0.047690 0.027435
C -2.197718 -1.199627 -1.192715
C -2.036689 -0.571824 1.161350
C -3.084768 -2.246952 -0.857270
C -2.921014 -1.620152 1.498785
C 1.699873 -0.932743 -1.001183
C 2.872877 0.247166 0.797761
C -0.441482 4.429346 -0.138559
C -3.448581 -2.462150 0.492195
C 2.860578 -1.694702 -1.253906
C 4.033742 -0.506822 0.539357
C 4.030867 -1.481058 -0.488905
H -0.412540 0.689241 -1.615991
H -2.470960 2.060999 -1.065128
H -1.776946 2.381740 0.546692
H -0.945799 3.563964 -1.990267
H -1.923405 -1.034527 -2.242965
H -1.626640 0.073252 1.947218
H -3.489988 -2.892914 -1.644602
H -3.197427 -1.781649 2.546991
H 0.797341 -1.119413 -1.590963
H 2.847020 1.001161 1.591379
H 0.256864 5.132336 -0.628807
H 0.042229 4.059285 0.781892
H -1.353284 5.001885 0.158768
H -4.133380 -3.275930 0.755809
H 2.853946 -2.454321 -2.043218
H 4.939003 -0.340767 1.133648
H 4.932832 -2.070146 -0.690171


