%chk=000217641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217641

0 1
O 0.077954 2.313092 0.158247
O -1.210835 -0.948280 1.337961
N 0.559763 0.183231 -0.522128
N -0.808727 -0.058133 -0.750628
C 1.338433 -1.058798 -0.218993
C 2.812143 -0.756966 -0.224536
C 3.282205 0.509128 0.167248
C 2.323000 1.577925 0.594548
C 0.901022 1.416246 0.116285
C 3.722878 -1.753566 -0.600432
C 4.660630 0.766770 0.178182
C 5.094930 -1.492247 -0.581625
C 5.562877 -0.232444 -0.193741
C -1.662374 -0.444849 0.330150
C -3.114174 -0.278352 0.016400
C -3.936115 -1.408657 -0.072985
C -3.646584 1.008295 -0.144160
C -5.299172 -1.248547 -0.339048
C -5.011051 1.159609 -0.404049
C -5.835129 0.032941 -0.504724
H 1.077559 -1.820930 -0.991858
H 1.033880 -1.487096 0.771683
H 2.301235 1.633875 1.711238
H 2.679233 2.584516 0.269461
H 3.363200 -2.734596 -0.908210
H 5.031012 1.745914 0.477485
H -1.180980 0.579786 -1.472251
H 5.799710 -2.269719 -0.872047
H 6.632698 -0.028753 -0.182480
H -3.514133 -2.404128 0.070647
H -3.003310 1.886702 -0.052802
H -5.944021 -2.123325 -0.412100
H -5.432694 2.156769 -0.525627
H -6.898666 0.154786 -0.709313


%chk=000217641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217641

0 1
O 0.327967 2.611408 0.275683
O -1.369094 -1.626841 0.984873
N 0.546257 0.309025 0.184421
N -0.804103 0.283073 -0.232160
C 1.324687 -0.952884 0.106276
C 2.806005 -0.695628 -0.118772
C 3.387248 0.545494 0.240162
C 2.518050 1.632251 0.852966
C 1.060585 1.578298 0.418601
C 3.615793 -1.718716 -0.668021
C 4.773259 0.750019 0.035564
C 4.999422 -1.514828 -0.856587
C 5.580567 -0.273590 -0.505498
C -1.724816 -0.626551 0.286525
C -3.158031 -0.378522 -0.105241
C -4.056069 -1.469275 0.022698
C -3.651656 0.880248 -0.542112
C -5.419333 -1.314128 -0.301476
C -5.017840 1.034407 -0.861912
C -5.903714 -0.062342 -0.749164
H 0.904196 -1.543202 -0.727499
H 1.146687 -1.542711 1.024377
H 2.536871 1.555482 1.960723
H 2.891273 2.639641 0.603927
H 3.161577 -2.676481 -0.949873
H 5.219503 1.715539 0.302292
H -1.089613 1.192976 -0.613534
H 5.617721 -2.312333 -1.282401
H 6.652021 -0.104209 -0.657580
H -3.660395 -2.422915 0.386944
H -3.000073 1.760178 -0.606549
H -6.103562 -2.163811 -0.203048
H -5.391735 2.010349 -1.189594
H -6.963257 0.060777 -0.999214


