%chk=000269364.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269364

0 1
O -0.972764 1.892101 -0.545099
O -0.242710 -1.282785 0.718659
O 3.256445 2.007481 -0.216019
N -1.249964 0.771769 0.255659
N 1.124416 0.506629 0.127868
N -2.694406 -1.006200 -2.340214
C -2.630587 0.215896 -0.002582
C -3.614107 1.414164 -0.025065
C -2.984921 -0.774837 1.130428
C -5.068526 0.941966 -0.108864
C -4.447772 -1.220611 1.042444
C -5.407715 -0.024909 1.032397
C -2.659394 -0.474792 -1.317096
C -0.096116 -0.124684 0.372107
C 2.400553 -0.113926 0.310249
C 3.561011 0.699841 0.116285
C 2.575097 -1.459666 0.640767
C 4.841429 0.172461 0.252235
C 3.867545 -1.987690 0.775933
C 4.987285 -1.183398 0.584677
C 4.354814 2.942112 -0.342483
H -3.377388 2.098162 -0.862248
H -3.457672 2.014157 0.897038
H -2.786562 -0.290773 2.108599
H -2.311513 -1.661462 1.096471
H -5.255939 0.453220 -1.085778
H -5.743082 1.819281 -0.075801
H -4.678357 -1.885084 1.897964
H -4.601566 -1.836653 0.133692
H -5.359209 0.505572 2.003175
H -6.450873 -0.379096 0.929878
H -0.964996 1.614214 -1.522687
H 1.137460 1.524936 -0.054417
H 1.703014 -2.106514 0.798388
H 5.723480 0.787967 0.104616
H 3.984869 -3.039417 1.033860
H 5.987579 -1.600971 0.691559
H 4.900872 3.017903 0.602438
H 3.825530 3.877296 -0.568471
H 5.006340 2.648739 -1.170866


%chk=000269364-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269364

0 1
O -0.864609 1.809510 -0.651167
O -0.259986 -1.497954 0.633865
O 3.132400 1.997822 -0.184404
N -1.198064 0.625491 0.159504
N 1.131467 0.360877 0.205417
N -2.786181 -0.950138 -2.465742
C -2.617071 0.168058 -0.023841
C -3.546972 1.426853 0.024545
C -3.042991 -0.816110 1.114879
C -5.043245 1.054959 -0.061931
C -4.542118 -1.182452 1.023915
C -5.450046 0.065910 1.053110
C -2.735152 -0.481349 -1.368783
C -0.089063 -0.280654 0.335314
C 2.419030 -0.208799 0.360486
C 3.517812 0.682708 0.150451
C 2.681050 -1.556537 0.699887
C 4.846625 0.235787 0.279580
C 4.017578 -2.002484 0.825548
C 5.095421 -1.116655 0.619053
C 4.190058 2.987501 -0.390365
H -3.274828 2.129089 -0.780500
H -3.329896 1.933327 0.984594
H -2.834294 -0.294814 2.069639
H -2.412599 -1.715531 1.082507
H -5.261709 0.608697 -1.053048
H -5.640973 1.983680 0.004846
H -4.784687 -1.858567 1.865335
H -4.728286 -1.756987 0.094295
H -5.357094 0.565438 2.039328
H -6.510818 -0.226409 0.936990
H -0.823469 1.500643 -1.607968
H 1.112645 1.365967 -0.006102
H 1.840078 -2.233473 0.859916
H 5.684309 0.920857 0.118672
H 4.209178 -3.048107 1.087957
H 6.128221 -1.466670 0.719451
H 4.800298 3.113342 0.524452
H 3.667482 3.927155 -0.621744
H 4.842100 2.702419 -1.238242


