%chk=000198097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198097

0 1
N 5.179746 0.185184 -0.269061
N 8.843579 -0.621015 -0.488537
C -1.104910 -0.494750 0.147041
C -2.360853 0.306565 -0.221464
C 0.173931 0.247193 -0.264315
C -3.640050 -0.435156 0.189344
C 1.430051 -0.553837 0.104502
C -4.895940 0.366196 -0.179243
C 2.706334 0.190500 -0.306384
C -6.175353 -0.375264 0.231443
C 3.960649 -0.617591 0.063586
C -7.430908 0.426177 -0.137172
C -8.711630 -0.314351 0.273092
C 6.430009 -0.602028 -0.038094
C 7.658744 0.281672 -0.377348
C -9.964597 0.478922 -0.091563
C 7.846096 1.397534 0.658392
H -1.136835 -1.488707 -0.339380
H -1.091456 -0.692667 1.236258
H -2.374565 0.505359 -1.310460
H -2.329477 1.300362 0.265508
H 0.205593 1.241192 0.222688
H 0.159891 0.446151 -1.353282
H -3.626724 -0.633563 1.278420
H -3.671713 -1.428963 -0.297396
H 1.442735 -0.750189 1.194370
H 1.397823 -1.547990 -0.381695
H -4.864598 1.360022 0.307555
H -4.909574 0.564843 -1.268260
H 2.747706 1.182103 0.189073
H 2.690569 0.399780 -1.392890
H -6.161896 -0.573707 1.320490
H -6.206877 -1.369025 -0.255393
H 3.939831 -1.609093 -0.438294
H 3.974650 -0.814029 1.158909
H -7.445846 0.625477 -1.225887
H -7.400892 1.420185 0.348942
H 5.139734 0.478105 -1.252293
H -8.743928 -1.308406 -0.214314
H -8.698962 -0.512416 1.362757
H 6.475575 -1.539965 -0.636248
H 6.461147 -0.904606 1.030265
H 7.510238 0.745539 -1.388908
H -9.982771 1.455491 0.405432
H -10.027841 0.659860 -1.170578
H -10.872974 -0.057103 0.205031
H 8.086865 1.007835 1.651857
H 8.631577 2.099732 0.368263
H 6.912176 1.970470 0.768284
H 9.667725 -0.096925 -0.767680
H 9.061196 -1.055104 0.403438


%chk=000198097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198097

0 1
N 5.276879 0.090766 -0.340728
N 8.986573 -0.628095 -0.315081
C -1.097783 -0.483752 0.167921
C -2.373883 0.326284 -0.153651
C 0.208200 0.259525 -0.192826
C -3.679367 -0.425408 0.191246
C 1.482243 -0.554422 0.126840
C -4.956651 0.382740 -0.130570
C 2.786433 0.181657 -0.253041
C -6.261553 -0.375052 0.203609
C 4.052999 -0.636543 0.064707
C -7.539879 0.431489 -0.118237
C -8.844251 -0.330435 0.210536
C 6.540085 -0.637717 -0.087992
C 7.780142 0.235910 -0.396875
C -10.116424 0.482731 -0.113055
C 7.831238 1.493572 0.506270
H -1.130588 -1.450056 -0.377928
H -1.088084 -0.738354 1.248609
H -2.377978 0.589781 -1.232307
H -2.347332 1.288009 0.400346
H 0.243583 1.225843 0.352171
H 0.197581 0.513003 -1.273839
H -3.675624 -0.690389 1.269512
H -3.704929 -1.386544 -0.363995
H 1.499028 -0.796427 1.210254
H 1.438012 -1.526354 -0.407969
H -4.935552 1.340734 0.430168
H -4.956779 0.653797 -1.207351
H 2.847050 1.151096 0.278899
H 2.766729 0.417891 -1.339016
H -6.261620 -0.646948 1.280214
H -6.281995 -1.332712 -0.357882
H 3.968751 -1.644266 -0.419575
H 4.110638 -0.817242 1.157200
H -7.539576 0.706827 -1.193975
H -7.523606 1.387459 0.446250
H 5.214978 0.382772 -1.328095
H -8.859925 -1.284860 -0.354535
H -8.843393 -0.606090 1.285094
H 6.636044 -1.581676 -0.675672
H 6.556040 -0.921353 0.985911
H 7.701575 0.564238 -1.454913
H -10.138318 1.428449 0.460991
H -10.157328 0.743198 -1.187739
H -11.034145 -0.082946 0.132675
H 7.976295 1.197353 1.563979
H 8.668269 2.157004 0.217145
H 6.883012 2.056072 0.438680
H 9.835231 -0.169256 -0.666506
H 9.141958 -0.995304 0.632926


