%chk=000232872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232872

0 1
O -3.372566 -0.872285 -0.864741
O -4.186997 -0.944998 1.238606
O -0.116182 0.775393 -1.069520
O -1.942571 0.440301 3.207764
O -3.290359 1.944645 2.240960
N -0.687414 -0.100831 0.948187
C 1.682582 -0.211487 0.267604
C -2.095632 0.313646 0.828700
C -2.988756 -0.944157 0.504458
C 0.246057 0.224638 -0.042848
C 2.616931 0.983261 0.304854
C 2.159144 -1.224324 -0.756171
C -2.546363 1.007130 2.104784
C 3.599764 1.039149 1.305499
C 1.982841 -1.006500 -2.129977
C 2.531205 2.011708 -0.643508
C 2.802314 -2.389795 -0.312654
C -2.401056 -1.363689 -1.836387
C -5.292707 -0.131591 0.715735
C 4.484800 2.119374 1.355576
C 2.443490 -1.949506 -3.051664
C 3.417695 3.090163 -0.586728
C 3.261878 -3.329227 -1.240005
C 4.395385 3.147076 0.411341
C 3.083215 -3.112115 -2.609710
C -3.225885 -1.606268 -3.085125
C -6.021354 0.357472 1.950415
H 1.708500 -0.699954 1.281072
H -2.208730 1.047943 -0.031864
H -2.492150 -1.899393 0.771533
H -0.421014 -0.518371 1.840590
H 3.683421 0.242269 2.041280
H 1.479580 -0.098849 -2.476781
H 1.765370 1.974296 -1.424546
H 2.953852 -2.566240 0.750065
H -1.644951 -0.562949 -1.970342
H -1.926810 -2.282048 -1.453573
H -4.898825 0.685858 0.089682
H -5.889285 -0.825039 0.098316
H 5.246714 2.159208 2.132411
H 2.305457 -1.775208 -4.117992
H 3.344627 3.888223 -1.324621
H 3.762447 -4.231862 -0.892956
H 5.084982 3.987905 0.452872
H 3.442999 -3.844498 -3.329804
H -3.984150 -2.382992 -2.920859
H -3.767011 -0.696122 -3.380914
H -2.594379 -1.912464 -3.926388
H -6.127955 -0.447683 2.690280
H -5.475291 1.177643 2.441493
H -7.023819 0.723426 1.703230
H -2.233439 0.860715 4.061073


%chk=000232872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232872

0 1
O -2.507917 -1.155976 -0.406399
O -4.216060 -0.704866 1.255816
O -0.207129 1.456600 -0.686504
O -1.780583 0.182337 3.677713
O -3.121497 1.925221 2.916263
N -0.533930 0.173960 1.223264
C 1.704059 0.138133 0.190391
C -1.970909 0.435552 1.292669
C -2.796391 -0.855782 0.973228
C 0.251654 0.667018 0.190783
C 2.762883 1.255802 0.195911
C 1.882542 -0.839778 -0.988329
C -2.372877 0.962508 2.668658
C 3.964303 1.034425 0.917819
C 1.712125 -0.414873 -2.330456
C 2.608626 2.472822 -0.516136
C 2.224806 -2.190930 -0.733799
C -2.855868 -2.538952 -0.812338
C -4.919332 0.340826 0.456074
C 4.993071 2.001767 0.929976
C 1.882396 -1.328058 -3.393281
C 3.636397 3.442972 -0.498916
C 2.399536 -3.105385 -1.798168
C 4.832150 3.213351 0.219112
C 2.228491 -2.675544 -3.133486
C -2.385647 -2.714109 -2.254544
C -6.414892 0.061200 0.588251
H 1.855020 -0.451002 1.115882
H -2.199228 1.202835 0.533540
H -2.493979 -1.684994 1.647382
H -0.126839 -0.424047 1.944387
H 4.099428 0.094866 1.469154
H 1.427856 0.621883 -2.535470
H 1.677642 2.660298 -1.059743
H 2.361607 -2.531023 0.300953
H -2.344770 -3.252844 -0.130970
H -3.949959 -2.684910 -0.713227
H -4.664764 1.338587 0.862963
H -4.579838 0.275618 -0.595202
H 5.913990 1.811989 1.493086
H 1.745432 -0.988454 -4.426203
H 3.500644 4.381413 -1.048674
H 2.669640 -4.146052 -1.585324
H 5.626737 3.967979 0.227174
H 2.364910 -3.380301 -3.961512
H -2.888554 -1.987991 -2.916221
H -1.296508 -2.553389 -2.331380
H -2.619417 -3.734183 -2.610884
H -6.665600 -0.933669 0.180711
H -6.723299 0.090354 1.647557
H -6.994587 0.823658 0.036141
H -2.065968 0.514133 4.571011


