%chk=000219370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219370

0 1
O -0.598829 -1.092288 -2.349877
O 5.299506 -1.579286 0.457026
O 3.967311 -3.187306 -0.092360
O 1.728676 3.405986 0.824591
O 3.741839 2.823987 1.373315
N 4.209924 -2.013731 0.124291
N 2.640177 2.601005 0.906637
C 1.866210 -1.356088 -0.601416
C 0.870841 -0.347342 -0.639712
C 3.114302 -1.027182 -0.009119
C 1.121861 0.932081 -0.153895
C 2.380094 1.236999 0.399374
C 3.377968 0.264090 0.476078
C 1.613174 -2.705840 -1.146950
C -0.487717 -0.615377 -1.240267
C -1.636756 -0.254455 -0.385814
C -2.888405 -0.261468 -0.876087
C -4.087880 0.078603 -0.100107
C -4.169175 -0.179414 1.278790
C -5.182935 0.667303 -0.759898
C -5.326932 0.152300 1.987384
C -6.333148 1.004551 -0.044634
C -6.407517 0.746993 1.328987
H 0.351964 1.718091 -0.197575
H 4.364657 0.506448 0.913226
H 2.439437 -3.061351 -1.794433
H 1.549431 -3.466086 -0.345217
H 0.698802 -2.785842 -1.760213
H -1.418434 0.006508 0.649345
H -3.064884 -0.523973 -1.931592
H -3.333291 -0.648469 1.796831
H -5.132585 0.868179 -1.829999
H -5.386251 -0.052653 3.055916
H -7.175762 1.467386 -0.557716
H -7.307871 1.008539 1.884191


%chk=000219370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219370

0 1
O -0.640811 -0.988497 -2.311789
O 5.537912 -1.508133 -0.333915
O 4.112045 -3.281257 -0.196754
O 1.729246 3.159734 1.521554
O 3.901738 2.538938 1.847607
N 4.355674 -2.016447 -0.242022
N 2.713487 2.334877 1.392101
C 1.935810 -1.381558 -0.712714
C 0.905997 -0.395018 -0.533197
C 3.209696 -1.064833 -0.150200
C 1.166549 0.801994 0.172468
C 2.455146 1.061122 0.673594
C 3.500798 0.141494 0.513663
C 1.680302 -2.682941 -1.442984
C -0.486522 -0.546755 -1.127191
C -1.626356 -0.136297 -0.277555
C -2.909806 -0.172827 -0.767765
C -4.147900 0.169868 -0.067328
C -4.181249 0.628785 1.284092
C -5.382375 0.039965 -0.770536
C -5.404482 0.943845 1.903127
C -6.607575 0.354548 -0.149336
C -6.622690 0.808085 1.190255
H 0.389172 1.558730 0.309661
H 4.503728 0.352159 0.892701
H 2.515727 -2.937384 -2.117594
H 1.615935 -3.515753 -0.720087
H 0.759061 -2.625719 -2.034353
H -1.416152 0.162195 0.755281
H -3.010993 -0.502964 -1.813111
H -3.249227 0.740852 1.848535
H -5.369239 -0.310555 -1.809704
H -5.416453 1.296571 2.939952
H -7.545810 0.248763 -0.703918
H -7.572582 1.055312 1.676564


