%chk=000211398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211398

0 1
O 1.698724 -0.551686 -0.808214
O -4.280734 -0.976700 1.114463
O 3.065075 0.598482 1.183331
O -5.594387 0.908867 1.214922
N -0.811560 1.421013 -1.350695
N -6.504431 -1.228860 0.940583
C 1.393587 0.435515 -1.845140
C -0.132303 0.274337 -2.038418
C 1.615410 1.859200 -1.312323
C 0.219920 2.515501 -1.316676
C -1.264317 1.046066 0.030397
C -2.614524 0.321106 -0.078137
C -3.080188 -0.160381 1.290753
C 3.040707 -0.862577 -0.659346
C 3.765958 -0.324379 0.440832
C 3.645275 -1.784596 -1.512013
C 5.079849 -0.736520 0.677628
C 4.966930 -2.186848 -1.272659
C 5.671763 -1.667569 -0.187710
C -5.489446 -0.293327 1.080550
C 3.693387 1.098014 2.389936
C -7.883910 -0.772536 0.677424
H 1.985830 0.199259 -2.745728
H -0.477042 -0.709849 -1.660026
H -0.399567 0.327670 -3.113724
H 2.031187 1.810247 -0.282997
H 2.339094 2.423893 -1.916484
H 0.068988 3.121750 -2.235356
H 0.074292 3.194174 -0.457664
H -0.517808 0.416407 0.565610
H -1.392052 1.973255 0.630338
H -3.371420 1.001907 -0.523827
H -2.549011 -0.534806 -0.778499
H -2.395034 -0.893017 1.754957
H -3.301241 0.668685 1.986336
H 3.078816 -2.196903 -2.345454
H 5.648863 -0.346956 1.515790
H 5.436213 -2.910457 -1.935645
H 6.697544 -1.985624 -0.003181
H 3.900989 0.276346 3.081410
H 4.595969 1.663489 2.143060
H 2.911000 1.756538 2.789469
H -6.281376 -2.200520 0.750472
H -7.999397 0.296725 0.946774
H -8.156570 -0.885540 -0.385225
H -8.588351 -1.354990 1.295707


%chk=000211398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211398

0 1
O 1.649798 -0.340998 -1.007074
O -3.703152 -0.478176 1.475620
O 1.894333 -1.150582 1.491778
O -5.119624 1.412737 1.328623
N -0.759366 1.267699 -2.171663
N -5.938887 -0.754730 1.742849
C 1.419102 0.183153 -2.378908
C -0.104484 0.012542 -2.631979
C 1.650200 1.721900 -2.463872
C 0.202695 2.321672 -2.608791
C -1.070963 1.298058 -0.708086
C -2.308333 0.437849 -0.375738
C -2.536683 0.381708 1.140912
C 2.963692 -0.451434 -0.538792
C 3.098365 -0.907498 0.813067
C 4.123266 -0.164296 -1.292550
C 4.385145 -1.077739 1.368504
C 5.409944 -0.337989 -0.725605
C 5.541207 -0.795261 0.599014
C -4.953403 0.176062 1.497172
C 1.993667 -1.631646 2.871076
C -7.350958 -0.383479 1.846113
H 2.037667 -0.400080 -3.089006
H -0.501480 -0.878333 -2.122166
H -0.273661 -0.099971 -3.721240
H 2.151398 2.074380 -1.546044
H 2.290614 1.993406 -3.322194
H 0.006003 2.559361 -3.672542
H 0.060182 3.244986 -2.023165
H -0.208552 0.965653 -0.086238
H -1.292056 2.350476 -0.446985
H -3.195250 0.863350 -0.878116
H -2.170827 -0.592984 -0.752469
H -1.689942 -0.101469 1.657429
H -2.711062 1.391284 1.556136
H 4.032072 0.202187 -2.319180
H 4.497673 -1.428241 2.398790
H 6.298064 -0.111293 -1.324793
H 6.532702 -0.931225 1.043491
H 2.525071 -2.602194 2.923681
H 2.504739 -0.894621 3.521554
H 0.953072 -1.761085 3.203456
H -5.645625 -1.725150 1.854618
H -7.426543 0.701791 1.672526
H -7.961752 -0.906240 1.086537
H -7.757369 -0.609737 2.849851


