%chk=000271425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271425

0 1
O 3.412586 1.065017 -0.046878
O -3.412864 1.065435 0.026857
N 1.349570 0.097420 0.620137
N -1.349607 0.085847 -0.621469
N 3.480115 -1.191130 0.528245
N -3.479803 -1.201352 -0.504877
C 0.763609 1.292684 -0.073984
C 0.479041 -1.119634 0.610130
C -0.763753 1.293750 0.050517
C -0.478862 -1.130656 -0.589276
C 2.703744 -0.121637 0.353474
C -2.703709 -0.128499 -0.350676
C 4.749965 0.643778 -0.090419
C -4.750126 0.644753 0.078469
C 4.801617 -0.744199 0.261776
C -4.801426 -0.749721 -0.247066
C 5.867583 1.396746 -0.414644
C -5.867950 1.403498 0.388233
C 6.032411 -1.401011 0.287489
C -6.032052 -1.407234 -0.260193
C 7.088049 0.711914 -0.381291
C -7.088230 0.717842 0.368003
C 7.166040 -0.650672 -0.039053
C -7.165870 -0.651079 0.051919
H 1.068397 1.339411 -1.145696
H 1.189632 2.199232 0.421387
H -0.085553 -1.102742 1.573425
H 1.090242 -2.054027 0.629234
H -1.068538 1.360164 1.121190
H -1.189868 2.190978 -0.461466
H 0.085723 -1.131246 -1.552723
H -1.089901 -2.065354 -0.591316
H 5.797981 2.448022 -0.675698
H -5.798606 2.459599 0.629106
H 6.095128 -2.454165 0.553760
H -6.094479 -2.465311 -0.506246
H 8.003748 1.249772 -0.626737
H -8.004076 1.260051 0.603106
H 8.142746 -1.135036 -0.027819
H -8.142456 -1.135808 0.049972


%chk=000271425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271425

0 1
O 3.474458 1.070353 -0.321204
O -3.475480 1.075448 0.303374
N 1.434389 -0.106521 0.019568
N -1.434291 -0.107772 -0.008684
N 3.590162 -1.170627 0.351015
N -3.588945 -1.177401 -0.328422
C 0.685566 1.113589 -0.352650
C 0.681711 -1.333403 0.372860
C -0.686275 1.118794 0.343361
C -0.680866 -1.341766 -0.335018
C 2.797215 -0.144472 0.039145
C -2.797039 -0.145779 -0.032452
C 4.851485 0.709021 -0.207017
C -4.852096 0.712068 0.190951
C 4.907382 -0.655453 0.200522
C -4.906665 -0.659594 -0.191922
C 5.970444 1.508173 -0.444045
C -5.971801 1.515380 0.409700
C 6.163707 -1.266682 0.387651
C -6.162390 -1.274064 -0.372314
C 7.228748 0.878366 -0.252087
C -7.229496 0.882206 0.224964
C 7.318359 -0.479958 0.155026
C -7.317774 -0.483256 -0.157841
H 0.550788 1.170260 -1.451951
H 1.260380 2.001915 -0.041489
H 0.546309 -1.396142 1.471329
H 1.277021 -2.210048 0.065638
H -0.551628 1.193851 1.441587
H -1.261791 2.001285 0.017481
H -0.545499 -1.428491 -1.431848
H -1.275583 -2.211976 -0.008761
H 5.887536 2.552154 -0.757748
H -5.889849 2.564831 0.704863
H 6.235102 -2.311861 0.701481
H -6.232840 -2.324721 -0.667517
H 8.145082 1.453139 -0.422358
H -8.146379 1.459912 0.381784
H 8.307720 -0.929817 0.292402
H -8.306679 -0.935543 -0.290472


