%chk=000245521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245521

0 1
O -0.540497 2.558261 0.790225
O 2.155347 -0.578004 0.934281
N -2.989888 1.357555 0.060029
N 0.877652 1.957158 -0.864014
N 2.109152 -1.069526 -1.294085
N 1.578032 3.190638 -0.838041
N 3.520272 -1.219834 -1.394176
C -0.768983 0.320195 -0.045577
C -0.017062 -0.865002 -0.104942
C -2.188180 0.219623 0.008060
C -0.624212 -2.114560 -0.171722
C -2.805777 -1.061659 -0.072878
C -2.029450 -2.201652 -0.163587
C -0.151791 1.670668 0.034239
C 1.487286 -0.831434 -0.048731
H -0.030035 -3.025048 -0.206217
H -3.891301 -1.136219 -0.058251
H -2.503169 -3.184036 -0.220648
H -2.572248 2.230532 0.387116
H -3.960643 1.248818 0.309509
H 1.241270 1.311752 -1.567275
H 1.624986 -1.559482 -2.054104
H 0.905424 3.966793 -0.933766
H 2.013655 3.321021 0.088379
H 3.942562 -0.279832 -1.435243
H 3.899797 -1.653426 -0.538179


%chk=000245521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245521

0 1
O -0.804452 2.761370 0.570297
O 2.168219 -0.276809 0.859446
N -3.032679 1.310673 0.395705
N 0.878221 2.022443 -0.825296
N 2.174773 -1.272044 -1.243275
N 1.544992 3.277222 -0.836060
N 3.579855 -1.500273 -1.263579
C -0.795927 0.392133 -0.044145
C 0.011849 -0.773016 -0.229469
C -2.223287 0.232245 0.107765
C -0.576971 -2.049734 -0.376092
C -2.796026 -1.069903 -0.061255
C -1.987159 -2.183850 -0.311265
C -0.243399 1.782575 -0.044265
C 1.522127 -0.726444 -0.133263
H 0.053879 -2.939247 -0.472947
H -3.883132 -1.184310 0.027252
H -2.444411 -3.173097 -0.422898
H -2.570701 2.196329 0.643902
H -4.040503 1.194825 0.461038
H 1.310901 1.294388 -1.393929
H 1.640527 -1.724721 -1.988690
H 0.877410 4.020744 -1.088334
H 1.948857 3.468768 0.093920
H 4.084300 -0.626029 -1.468841
H 3.884936 -1.880936 -0.355319


