%chk=000254855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254855

0 1
O -0.851677 1.587573 0.012776
O 0.452677 -1.546272 0.270356
O 3.990389 -1.253582 0.082454
O 0.000897 1.146003 2.058757
O 2.038449 -2.600348 1.499241
N -3.381834 -0.661554 -1.073548
C -2.036157 -0.480668 -0.406882
C -2.073475 0.864762 0.360403
C -3.246368 1.658120 -0.221975
C -4.136153 0.629834 -0.950422
C -1.868345 -1.684728 0.503267
C -4.036338 -1.844922 -0.397118
C -2.981039 -2.434136 0.511432
C -0.596852 -1.898980 1.240701
C 2.321582 0.107623 -0.924488
C 2.703089 -1.344890 -0.525582
C 2.515241 1.062174 0.277698
C 0.175418 1.573005 0.939744
C 1.427171 2.097531 0.332595
C 1.736282 -1.909996 0.556044
C 3.132894 0.587721 -2.127127
C 2.721503 -2.346878 -1.674166
C 1.568729 3.359027 -0.096292
C 0.501642 4.393773 -0.049869
H -1.249332 -0.456154 -1.202060
H -2.124449 0.747811 1.463140
H -2.865664 2.424320 -0.926788
H -3.800750 2.202628 0.558511
H -5.110906 0.509856 -0.440048
H -4.352927 0.960592 -1.989868
H -4.313905 -2.557969 -1.205125
H -4.961561 -1.591854 0.155434
H -3.169063 -3.346134 1.050601
H -0.473835 -1.194088 2.093058
H -0.434794 -2.938244 1.578188
H 1.233236 0.088967 -1.206118
H 3.517465 1.536230 0.228365
H 2.546520 0.495997 1.236159
H 4.210657 0.462857 -1.954973
H 2.875095 0.040825 -3.040399
H 2.946568 1.650364 -2.324589
H 2.874365 -3.376863 -1.328286
H 1.785288 -2.326455 -2.247387
H 3.544112 -2.122471 -2.368008
H 4.236944 -2.099005 0.528905
H 2.526575 3.698060 -0.503111
H 0.570073 4.987698 0.874853
H -0.510921 3.958521 -0.083320
H 0.574979 5.094819 -0.892436


%chk=000254855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254855

0 1
O -0.926013 1.698678 -0.006185
O 0.453271 -1.710531 0.029504
O 4.115024 -1.447829 0.183581
O 0.134121 0.798485 1.864083
O 2.008586 -2.221458 1.688406
N -3.667630 -0.530646 -0.893688
C -2.230388 -0.406587 -0.446584
C -2.165195 0.944811 0.342348
C -3.379008 1.732867 -0.179208
C -4.444342 0.633872 -0.379836
C -1.955569 -1.713168 0.300977
C -4.180812 -1.885013 -0.534815
C -3.038273 -2.531054 0.229935
C -0.664823 -2.028025 0.994491
C 2.553907 0.116758 -0.923840
C 2.809893 -1.365334 -0.484972
C 2.621712 1.104066 0.299534
C 0.191693 1.491284 0.815566
C 1.456056 2.087838 0.279697
C 1.733341 -1.805407 0.534091
C 3.537346 0.569622 -2.024661
C 2.805546 -2.354790 -1.675244
C 1.568530 3.374678 -0.159941
C 0.502441 4.440369 -0.236001
H -1.541834 -0.310542 -1.311044
H -2.190298 0.785513 1.434521
H -3.113372 2.194454 -1.146574
H -3.707534 2.525381 0.513256
H -4.945690 0.399607 0.591145
H -5.227669 0.945069 -1.094318
H -4.439088 -2.477570 -1.437222
H -5.107189 -1.813848 0.077908
H -3.097596 -3.543512 0.641614
H -0.492835 -1.394160 1.883050
H -0.590026 -3.091289 1.279632
H 1.527662 0.141254 -1.341656
H 3.581129 1.649042 0.271104
H 2.605769 0.545338 1.252757
H 4.579803 0.431813 -1.686121
H 3.397407 0.012293 -2.967580
H 3.379822 1.641319 -2.248231
H 2.861308 -3.395655 -1.311387
H 1.896056 -2.239728 -2.289509
H 3.696043 -2.167998 -2.296326
H 3.960453 -1.809138 1.100711
H 2.574799 3.693942 -0.473846
H 0.800702 5.326754 0.357091
H -0.476308 4.083307 0.118060
H 0.380567 4.785369 -1.281580


