%chk=000202976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202976

0 1
O -4.004639 1.077959 0.027080
N 3.763040 -0.219003 0.332934
N 0.491782 -2.126974 -0.022920
C 3.253837 1.020687 -0.342799
C 0.950865 0.116140 -0.008472
C 1.774686 1.349355 0.012870
C 1.508171 -1.162974 -0.020396
C 2.977946 -1.432969 -0.047428
C -0.476903 -0.034176 -0.001278
C -0.746003 -1.447890 -0.013186
C 4.171854 2.185698 0.036939
C -1.550356 0.879211 0.013242
C -2.060747 -1.959158 -0.012017
C -2.829652 0.348609 0.014070
C -3.101609 -1.056210 0.001686
C -3.897591 2.520293 0.038235
H 3.320196 0.840548 -1.447976
H 1.378060 2.097243 -0.701194
H 1.707844 1.824863 1.012557
H 3.263493 -2.269342 0.626785
H 3.292158 -1.733831 -1.076389
H 3.721674 -0.096871 1.351732
H 0.612805 -3.118063 -0.041787
H 3.913414 3.090102 -0.523410
H 4.120811 2.429144 1.103482
H 5.219803 1.943062 -0.187703
H -1.349385 1.942484 0.022851
H -2.240742 -3.030573 -0.021618
H -4.141217 -1.377568 0.003307
H -3.394902 2.871030 -0.867644
H -3.385040 2.856336 0.944130
H -4.951854 2.824941 0.046420


%chk=000202976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202976

0 1
O -4.077443 1.095589 0.017913
N 3.763533 -0.207059 0.349156
N 0.494073 -2.130277 -0.036106
C 3.266593 1.030036 -0.326931
C 0.940112 0.110766 0.007475
C 1.779719 1.366622 0.028994
C 1.511070 -1.163395 -0.010853
C 2.999948 -1.429618 -0.020477
C -0.498649 -0.064658 0.004480
C -0.752358 -1.481247 -0.026435
C 4.209107 2.199898 -0.000998
C -1.592443 0.845215 0.019410
C -2.064205 -2.002909 -0.039216
C -2.899328 0.315277 0.005221
C -3.135728 -1.093092 -0.023414
C -3.912025 2.546126 0.045663
H 3.312876 0.819995 -1.415383
H 1.393824 2.114731 -0.693329
H 1.743226 1.852201 1.028627
H 3.276106 -2.241237 0.681202
H 3.331361 -1.756257 -1.028390
H 3.762702 -0.074283 1.372775
H 0.634242 -3.137744 -0.054946
H 3.868618 3.129413 -0.492815
H 4.237127 2.388632 1.090293
H 5.235893 1.974753 -0.335595
H -1.408574 1.923392 0.042433
H -2.257117 -3.081223 -0.061408
H -4.173547 -1.438959 -0.033194
H -3.369418 2.909755 -0.850029
H -3.374314 2.875669 0.957353
H -4.933181 2.955992 0.050624


