%chk=000211511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211511

0 1
O -2.417590 -2.513335 0.549520
N 2.556894 -1.283327 -0.374213
N -0.922718 -0.864191 0.102431
C 0.150535 -1.868087 -0.160843
C 0.550773 -1.945171 -1.653514
C 1.465229 -1.567278 0.611824
C 2.089150 -1.871541 -1.674236
C 2.852035 0.182257 -0.494775
C -0.627930 0.544942 -0.049739
C -2.221915 -1.315609 0.443875
C 3.544706 0.657397 0.754400
C -3.270201 -0.243617 0.660907
C -0.305832 1.309551 1.085352
C -0.682113 1.142436 -1.320123
C -4.632184 -0.864160 0.943156
C -0.025103 2.669424 0.937579
C -0.398790 2.504139 -1.450300
C 3.451820 1.906227 1.205818
C -0.069647 3.268095 -0.326276
H -0.259754 -2.862881 0.171509
H 0.103197 -1.127383 -2.243526
H 0.182679 -2.879581 -2.108208
H 1.353029 -0.759828 1.358499
H 1.779302 -2.472651 1.176551
H 2.530968 -2.890862 -1.730765
H 2.467450 -1.311519 -2.547585
H 1.949937 0.794860 -0.717286
H 3.550160 0.323682 -1.353994
H 4.151211 -0.101174 1.256589
H -3.328553 0.420245 -0.227898
H -2.965794 0.412587 1.504237
H -0.267541 0.843164 2.069008
H -0.937026 0.544306 -2.194781
H -5.389169 -0.096949 1.135315
H -4.593709 -1.532895 1.814983
H -4.975412 -1.479234 0.100093
H 0.232517 3.265345 1.813369
H -0.436784 2.971907 -2.433902
H 3.971177 2.255111 2.085679
H 2.856406 2.674515 0.735083
H 0.150389 4.328783 -0.434014


%chk=000211511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211511

0 1
O -2.345972 -2.551221 0.562093
N 2.631805 -1.434523 -0.268323
N -0.967472 -0.755999 -0.011388
C 0.160033 -1.690449 -0.297646
C 0.723531 -1.634755 -1.746868
C 1.435110 -1.513928 0.624258
C 2.195001 -2.086975 -1.539598
C 3.161712 -0.051894 -0.449627
C -0.780117 0.670471 -0.168147
C -2.192780 -1.298914 0.422567
C 3.866230 0.431865 0.801358
C -3.324056 -0.302382 0.713255
C -0.382720 1.465473 0.936280
C -1.006313 1.287476 -1.425083
C -4.634549 -1.009910 1.100424
C -0.205847 2.858990 0.783448
C -0.825716 2.680498 -1.576772
C 3.656487 1.635386 1.391685
C -0.423473 3.469545 -0.473580
H -0.280097 -2.686549 -0.115750
H 0.706439 -0.602823 -2.141033
H 0.155037 -2.283513 -2.435374
H 1.378745 -0.614564 1.259495
H 1.521408 -2.392249 1.289866
H 2.239423 -3.186439 -1.410303
H 2.866781 -1.813391 -2.370965
H 2.384422 0.693542 -0.747836
H 3.900899 -0.102080 -1.274982
H 4.593928 -0.277013 1.222558
H -3.477328 0.344785 -0.172085
H -3.001171 0.380956 1.523246
H -0.224239 0.989809 1.910349
H -1.338272 0.672738 -2.268872
H -5.420491 -0.265579 1.323088
H -4.488863 -1.649815 1.986691
H -4.986997 -1.663336 0.284432
H 0.096916 3.465391 1.644294
H -1.004696 3.149056 -2.550822
H 4.217201 1.944740 2.281169
H 2.918787 2.345172 0.995720
H -0.286927 4.550106 -0.591427


