%chk=000186714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186714

0 1
O 1.099769 2.331850 -0.188403
O 1.099481 -2.332025 0.188678
O -5.655100 1.072388 -0.140498
O -5.655213 -1.071820 0.140829
N 2.790494 0.682270 -0.221219
N 2.790425 -0.682659 0.221477
N 0.604133 -0.000059 0.000147
N -5.087684 0.000254 0.000164
C 3.968103 1.455595 0.280926
C 3.967880 -1.456129 -0.280819
C 5.239489 0.739227 -0.205532
C 5.239423 -0.739916 0.205456
C 1.446818 1.184225 -0.096538
C 1.446668 -1.184443 0.096817
C -0.828933 0.000026 0.000151
C -1.530410 1.213714 -0.159218
C -1.530539 -1.213587 0.159525
C -2.920280 1.211335 -0.158593
C -2.920408 -1.211060 0.158908
C -3.615602 0.000175 0.000159
H 3.963142 1.546112 1.389656
H 3.889373 2.482344 -0.146305
H 3.962759 -1.546668 -1.389545
H 3.889082 -2.482861 0.146444
H 6.129966 1.252114 0.207168
H 5.319090 0.824600 -1.308956
H 6.129778 -1.252916 -0.207369
H 5.319169 -0.825297 1.308869
H -0.995295 2.163562 -0.283545
H -0.995522 -2.163490 0.283849
H -3.480463 2.146614 -0.281423
H -3.480691 -2.146278 0.281739


%chk=000186714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186714

0 1
O 1.126104 2.391307 -0.112623
O 1.125592 -2.391301 0.112551
O -5.697772 1.132323 -0.139767
O -5.697772 -1.131840 0.141787
N 2.773397 0.702913 -0.116705
N 2.773249 -0.703240 0.116676
N 0.633806 0.000041 -0.000078
N -5.089161 0.000127 0.000089
C 3.970701 1.473006 0.265969
C 3.970454 -1.473564 -0.265848
C 5.230477 0.737121 -0.237613
C 5.230310 -0.737917 0.237882
C 1.464312 1.180218 -0.087356
C 1.464077 -1.180292 0.087155
C -0.800396 0.000111 -0.000036
C -1.515119 1.223347 -0.150475
C -1.515122 -1.223114 0.150435
C -2.919422 1.220407 -0.150411
C -2.919424 -1.220170 0.150448
C -3.612095 0.000121 0.000037
H 4.006476 1.586757 1.369617
H 3.861187 2.474185 -0.180914
H 4.006339 -1.587329 -1.369491
H 3.860693 -2.474720 0.181027
H 6.124658 1.263903 0.139677
H 5.262923 0.774873 -1.343383
H 6.124435 -1.264869 -0.139303
H 5.262619 -0.775676 1.343656
H -0.968992 2.161423 -0.257013
H -0.968986 -2.161193 0.256940
H -3.484323 2.149084 -0.264522
H -3.484323 -2.148844 0.264592


