%chk=000196676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196676

0 1
O 0.582426 0.035421 1.377592
O 3.227373 -1.551997 0.124313
O 1.604968 2.764172 0.351202
O -1.756368 -2.856684 -0.552335
O 0.361248 3.100597 0.961005
O 4.350010 -0.275431 -1.361285
O -4.833719 0.362049 -1.562334
N -1.346511 -0.721662 0.249534
N -3.302256 -1.227854 -1.059666
C 1.970469 -0.958019 -0.315222
C 0.884594 -1.952153 0.098174
C 1.715034 0.329069 0.507267
C -0.088603 -1.156380 0.976891
C 1.420418 1.539160 -0.385306
C -1.796733 0.606537 0.378416
C -2.113819 -1.694761 -0.461010
C -2.950681 1.032556 -0.197112
C 4.388433 -1.123374 -0.502436
C -3.796848 0.125553 -0.981671
C -3.435046 2.435047 -0.051141
C 5.543009 -1.861219 0.067194
C -0.069917 4.334979 0.346060
H 2.029258 -0.787309 -1.410934
H 0.398593 -2.443607 -0.770421
H 1.330107 -2.793452 0.674579
H 2.528985 0.555262 1.234601
H -0.392658 -1.657624 1.926201
H 0.415323 1.503262 -0.835649
H 2.191340 1.638569 -1.182246
H -1.143684 1.280167 0.971098
H -3.861295 -1.918382 -1.582948
H -4.285635 2.639239 -0.724939
H -2.652463 3.167459 -0.285880
H -3.788536 2.630471 0.971986
H 6.056102 -2.448856 -0.712567
H 5.248327 -2.557683 0.870169
H 6.287725 -1.163274 0.485211
H 0.722605 5.087823 0.405388
H -0.922687 4.618155 0.975587
H -0.366786 4.165875 -0.691565


%chk=000196676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196676

0 1
O 0.518911 0.575937 1.386306
O 3.180203 -1.427809 0.047333
O 1.653390 3.065806 0.059829
O -1.978591 -2.757441 0.873674
O 0.166912 3.398551 0.325216
O 3.951827 -0.207585 -1.785354
O -4.905441 -0.213935 -1.750636
N -1.405369 -0.526535 0.397634
N -3.400556 -1.444535 -0.456097
C 1.828863 -0.824676 -0.117673
C 0.847384 -1.692698 0.691291
C 1.740912 0.593931 0.517235
C -0.174665 -0.693411 1.268041
C 1.687262 1.722570 -0.525929
C -1.767988 0.710934 -0.145436
C -2.247550 -1.655460 0.308932
C -2.917489 0.900887 -0.880388
C 4.160651 -1.057397 -0.890452
C -3.824783 -0.235525 -1.092335
C -3.295238 2.236728 -1.472507
C 5.434224 -1.835587 -0.663073
C 0.104245 3.826665 1.727662
H 1.595996 -0.790129 -1.197596
H 0.374768 -2.492781 0.106208
H 1.398868 -2.158576 1.525950
H 2.593419 0.761663 1.201296
H -0.531301 -0.991127 2.267514
H 0.845843 1.601114 -1.233308
H 2.629571 1.704783 -1.105833
H -1.080327 1.533722 0.072840
H -4.023522 -2.253172 -0.551882
H -3.432185 2.154086 -2.566044
H -2.522243 2.996655 -1.266744
H -4.261079 2.588606 -1.065860
H 5.357550 -2.818114 -1.163978
H 5.598390 -2.018959 0.410184
H 6.284786 -1.290208 -1.097915
H 0.354173 2.992160 2.406011
H -0.951698 4.127252 1.860411
H 0.763982 4.695311 1.901279


