%chk=000239808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239808

0 1
O -6.129977 -1.893125 0.293915
O 4.719948 0.692505 -0.233709
O 3.843880 -1.779237 0.500420
O 2.721544 2.653517 -1.047472
O -3.539468 -1.351752 -0.701738
N -4.176255 0.725258 -0.007646
C -5.632473 0.446735 -0.181930
C -6.116586 -0.587373 0.866903
C -6.411030 1.756510 -0.082538
C 0.624463 -0.220633 -0.491991
C 3.367092 0.390792 -0.241354
C 2.875160 -0.907478 0.067723
C 2.451234 1.364298 -0.683305
C 1.518353 -1.215400 -0.052967
C 1.076327 1.056824 -0.809087
C -3.211629 -0.230525 -0.322375
C -0.804313 -0.567333 -0.621688
C -1.798298 0.205008 -0.164285
C 5.364860 0.527817 1.059769
C 3.440477 -3.136544 0.817678
C 4.098918 3.114284 -1.011920
H -5.777896 -0.012293 -1.202438
H -5.490961 -0.591371 1.776407
H -7.173446 -0.428931 1.150995
H -3.918863 1.638535 0.349346
H -7.476462 1.588567 -0.294204
H -6.347473 2.211551 0.912605
H -6.060881 2.496776 -0.813399
H 1.143736 -2.205600 0.184079
H 0.400935 1.831533 -1.166229
H -1.017342 -1.526637 -1.118079
H -1.613046 1.153112 0.339351
H -5.226940 -2.113080 -0.080195
H 6.381283 0.876578 0.850624
H 4.870480 1.142311 1.813939
H 5.361499 -0.532409 1.341903
H 4.398994 -3.589566 1.102543
H 2.736642 -3.138579 1.654571
H 3.025611 -3.625991 -0.068641
H 4.007782 4.116953 -1.444157
H 4.452123 3.142514 0.022111
H 4.733696 2.460475 -1.622434


%chk=000239808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239808

0 1
O -6.053570 -1.927653 0.548366
O 4.800025 0.794370 0.047272
O 3.988039 -1.885051 0.259491
O 2.838942 2.833651 -0.223537
O -3.470176 -1.497160 -0.053580
N -4.246205 0.698767 -0.233236
C -5.695785 0.387137 -0.366944
C -6.241504 -0.508412 0.787946
C -6.458320 1.724228 -0.452079
C 0.644393 -0.153925 -0.033507
C 3.443759 0.440504 0.036398
C 2.984222 -0.909698 0.138970
C 2.480150 1.476859 -0.151089
C 1.603603 -1.195767 0.114501
C 1.103680 1.180046 -0.180656
C -3.232872 -0.237293 -0.138889
C -0.775655 -0.519487 -0.041755
C -1.854643 0.314841 -0.142935
C 5.604964 0.367017 1.215738
C 3.566177 -3.288855 0.313882
C 3.799600 3.222412 -1.280799
H -5.843665 -0.191505 -1.302147
H -5.781913 -0.174947 1.745872
H -7.334588 -0.363448 0.856803
H -3.979113 1.684411 -0.286145
H -7.521180 1.539545 -0.680842
H -6.407840 2.270986 0.508841
H -6.053739 2.375555 -1.249777
H 1.247633 -2.226906 0.203504
H 0.412207 2.017366 -0.309290
H -1.014640 -1.590031 0.044162
H -1.734136 1.402899 -0.228661
H -5.076081 -2.048870 0.327217
H 6.605015 0.790741 1.038806
H 5.174678 0.786424 2.144261
H 5.651411 -0.732075 1.273485
H 4.500866 -3.865184 0.373948
H 2.944745 -3.488941 1.207821
H 3.009727 -3.572589 -0.599551
H 3.941166 4.306094 -1.150959
H 4.754468 2.685803 -1.160324
H 3.367853 3.016735 -2.279482


