%chk=000227485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227485

0 1
O 0.162849 3.032763 0.270770
N 2.157795 -1.188685 -0.397320
N 3.169685 -0.196229 -0.101068
N -2.647165 -0.658962 -0.129104
N -0.294250 -1.083594 -0.119919
N -1.231816 1.204896 0.159131
C 0.896235 -0.523668 -0.153729
C 1.186975 0.909936 -0.025570
C 2.540141 1.076875 -0.062100
C -1.379474 -0.126940 -0.001078
C 0.029568 1.835546 0.147912
C 2.397694 -2.489244 0.277127
C -2.868833 -2.121250 -0.057783
C -3.826028 0.187293 0.174577
H 3.126126 1.988543 -0.003272
H 4.016412 -0.328768 -0.663446
H 2.515469 -2.414613 1.371322
H 3.298107 -2.963918 -0.146792
H 1.528618 -3.146357 0.066875
H -2.069609 -2.662626 -0.601309
H -3.829081 -2.374944 -0.535461
H -2.877424 -2.487796 0.982260
H -4.691102 -0.154859 -0.413907
H -3.623263 1.245638 -0.100635
H -4.079828 0.171963 1.247119


%chk=000227485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227485

0 1
O 0.128123 3.133790 0.012279
N 2.128002 -1.127010 -0.087636
N 3.132097 -0.135933 -0.027351
N -2.622655 -0.683780 0.098137
N -0.297159 -1.077970 0.005250
N -1.253142 1.219922 0.050489
C 0.894174 -0.477231 -0.044439
C 1.153502 0.946187 -0.038756
C 2.532561 1.115076 -0.051537
C -1.352006 -0.135532 0.050054
C -0.012445 1.868403 0.009131
C 2.400615 -2.547621 0.097044
C -2.857929 -2.131668 0.106670
C -3.810891 0.179486 0.143968
H 3.126760 2.025876 -0.069072
H 4.085989 -0.381126 -0.289759
H 2.884191 -2.747453 1.071142
H 3.022553 -2.953178 -0.721642
H 1.417151 -3.045019 0.077680
H -1.890985 -2.650067 0.060920
H -3.477397 -2.426760 -0.763721
H -3.395011 -2.431060 1.028859
H -4.465461 -0.021313 -0.727056
H -3.472935 1.225691 0.124730
H -4.389901 -0.010709 1.069216


