%chk=000249459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249459

0 1
O -1.630461 3.002549 -0.000442
O 0.559789 -2.439833 -0.000473
N 0.703962 -1.211881 -0.000816
N 1.115384 1.662825 -0.000557
C -0.317573 -0.326946 -0.000913
C -1.764482 -0.561490 -0.000502
C -0.069461 1.111662 -0.000756
C -2.428729 0.703750 -0.000331
C -1.441653 1.821411 -0.001151
C 2.032308 -0.646450 -0.000511
C 2.205676 0.767256 -0.000406
C -2.480086 -1.746486 -0.000207
C -3.811474 0.770429 0.000098
C 3.163525 -1.503835 -0.000315
C -3.886733 -1.666097 0.000333
C 3.522933 1.300146 -0.000022
C -4.541121 -0.435068 0.000481
C 4.430535 -0.958463 0.000016
C 4.608992 0.448011 0.000168
H -1.964484 -2.709016 -0.000286
H -4.324701 1.733502 -0.000050
H 2.997755 -2.587359 -0.000485
H 3.642645 2.387343 0.000157
H -4.467776 -2.590159 0.000714
H -5.629780 -0.397141 0.000852
H 5.308888 -1.605564 0.000149
H 5.623824 0.852304 0.000457


%chk=000249459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249459

0 1
O -1.639977 3.045991 -0.000205
O 0.541104 -2.508798 -0.000022
N 0.718733 -1.194394 0.000201
N 1.135754 1.698695 -0.000148
C -0.319789 -0.305342 0.000094
C -1.756743 -0.568742 0.000000
C -0.064073 1.111418 -0.000057
C -2.428877 0.696514 -0.000085
C -1.423019 1.808573 0.000060
C 2.045799 -0.637272 -0.000060
C 2.210017 0.797697 -0.000200
C -2.488202 -1.773374 -0.000013
C -3.829969 0.775094 -0.000218
C 3.157314 -1.509479 -0.000155
C -3.904391 -1.686303 -0.000142
C 3.538211 1.315839 -0.000410
C -4.570349 -0.434172 -0.000252
C 4.450276 -0.962041 -0.000358
C 4.640847 0.451271 -0.000482
H -1.970410 -2.735093 0.000056
H -4.325666 1.751183 -0.000276
H 2.975066 -2.587005 -0.000036
H 3.652163 2.403727 -0.000512
H -4.497037 -2.607641 -0.000168
H -5.664957 -0.405092 -0.000348
H 5.319966 -1.627200 -0.000415
H 5.655912 0.861346 -0.000644


