%chk=000209282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209282

0 1
O 6.426869 -0.460830 -1.443504
O -3.808248 0.482067 -0.390385
O 1.993504 1.844089 2.224249
N 4.434954 -0.140876 0.576649
N 1.636728 -0.021498 0.910326
N -2.353078 -1.370363 -1.642527
C 4.721304 0.957713 -0.406579
C 5.683907 -0.929535 0.843378
C 3.887361 0.422724 1.847884
C 5.248190 0.327956 -1.704848
C 6.183970 -1.512192 -0.489053
C 2.423197 0.845231 1.674237
C 0.249454 0.160719 0.599708
C -0.337973 -0.706331 -0.395526
C -1.721591 -0.569880 -0.703340
C -2.496922 0.444808 -0.011405
C -0.524907 1.114907 1.231985
C -6.020408 1.206165 -0.420589
C -4.675898 1.474893 0.250732
C -1.900289 1.260517 0.927234
C -7.102893 2.150647 0.112903
C 0.391640 -1.710297 -1.107669
C -0.239985 -2.497030 -2.037012
C -8.449781 1.886426 -0.555194
C -1.637047 -2.292649 -2.277279
H 3.776029 1.508015 -0.606922
H 5.454754 1.700303 -0.023330
H 6.487827 -0.320662 1.311255
H 5.439648 -1.753564 1.546840
H 3.927866 -0.348082 2.651940
H 4.450643 1.302545 2.238062
H 5.623998 1.087619 -2.413491
H 4.489358 -0.308327 -2.192652
H 5.464456 -2.231023 -0.918666
H 7.180335 -1.978804 -0.390576
H 2.109594 -0.802434 0.434136
H -0.086616 1.785517 1.983393
H -6.308769 0.146293 -0.263074
H -5.913648 1.309327 -1.520219
H -4.690461 1.283224 1.336223
H -4.280586 2.481260 0.035700
H -2.457720 2.029338 1.455511
H -7.202029 2.032669 1.210317
H -6.803784 3.204272 -0.055885
H 1.456792 -1.841609 -0.905073
H 0.290354 -3.266570 -2.592539
H -8.397679 2.029085 -1.641110
H -8.794988 0.860876 -0.378132
H -9.221886 2.563268 -0.172059
H -2.164045 -2.911420 -3.014324


%chk=000209282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209282

0 1
O 6.076370 -0.835750 -1.570419
O -3.749324 0.393836 -0.482197
O 1.993788 1.890435 2.673197
N 4.369942 -0.066180 0.649310
N 1.749344 0.279589 0.950382
N -2.077099 -1.321672 -1.751856
C 4.691653 0.892606 -0.450303
C 5.484235 -1.038280 0.834219
C 3.956955 0.627107 1.894985
C 4.974404 0.122211 -1.749542
C 5.750124 -1.777681 -0.488113
C 2.458921 1.017242 1.879734
C 0.368600 0.325454 0.631082
C -0.129296 -0.551727 -0.405403
C -1.536683 -0.512279 -0.767533
C -2.418236 0.407952 -0.077074
C -0.518966 1.195092 1.279721
C -6.050909 1.126196 -0.456404
C -4.676535 1.331281 0.183136
C -1.895773 1.235287 0.928599
C -7.118664 2.067168 0.148983
C 0.691238 -1.485085 -1.122692
C 0.134400 -2.296904 -2.112727
C -8.508091 1.866537 -0.493575
C -1.261188 -2.177880 -2.394124
H 3.832358 1.573128 -0.597333
H 5.580810 1.511265 -0.184763
H 6.418924 -0.523909 1.159767
H 5.199584 -1.766861 1.616261
H 4.112125 -0.051774 2.755338
H 4.538098 1.551638 2.101429
H 5.301635 0.804011 -2.550915
H 4.056831 -0.415753 -2.076336
H 4.854678 -2.376031 -0.767827
H 6.624282 -2.443182 -0.401200
H 2.391039 -0.346566 0.431315
H -0.133724 1.850076 2.064183
H -6.355057 0.070726 -0.322624
H -5.967285 1.299250 -1.546154
H -4.705653 1.115840 1.272278
H -4.319645 2.372891 0.037000
H -2.541759 1.934264 1.466265
H -7.189482 1.894399 1.242481
H -6.800742 3.121895 0.018212
H 1.760559 -1.581107 -0.901469
H 0.746027 -3.015563 -2.667120
H -8.471791 2.060277 -1.581872
H -8.864383 0.829471 -0.349404
H -9.258609 2.547531 -0.052516
H -1.726531 -2.801977 -3.166680


