%chk=000217147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217147

0 1
O -2.520421 -1.650364 1.051614
O 0.889365 2.489199 0.766090
O 5.543612 1.239710 -0.045380
O 6.100033 -1.013027 -0.549229
N 0.711316 0.309968 -0.053511
N -4.035780 -0.007433 0.630648
N -6.581690 -0.388363 -0.685237
C -1.698599 0.180462 -0.283134
C -0.389640 -0.647405 -0.378523
C -1.306724 1.489315 0.420201
C -2.769238 -0.592863 0.490935
C 0.213696 1.545746 0.424800
C -5.113517 -0.816159 1.273523
C -4.581179 1.018615 -0.294681
C -6.036976 -1.451809 0.214745
C -5.486239 0.368434 -1.365040
C 2.080378 -0.077291 -0.173326
C 3.091049 0.916001 -0.005744
C 2.407775 -1.411876 -0.463548
C 4.386219 0.485758 -0.152865
C 4.717353 -0.869577 -0.455655
C 3.748540 -1.831742 -0.612932
C 6.657251 0.313873 -0.285912
H -2.072407 0.392558 -1.313121
H -0.397379 -1.494398 0.353251
H -0.250645 -1.069018 -1.394349
H -1.675454 1.535312 1.467458
H -1.717709 2.385136 -0.080416
H -5.695152 -0.136707 1.936914
H -4.656089 -1.606683 1.913832
H -3.773526 1.605933 -0.772850
H -5.184167 1.734292 0.316763
H -5.490218 -2.252294 -0.329236
H -6.901242 -1.934900 0.722837
H -5.960587 1.164243 -1.981422
H -4.876882 -0.257664 -2.050817
H -7.187322 -0.819271 -1.393347
H 2.849008 1.955854 0.236482
H 1.635441 -2.169687 -0.570031
H 3.991173 -2.867012 -0.837366
H 7.249418 0.256792 0.636833
H 7.179654 0.648539 -1.191455


%chk=000217147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217147

0 1
O -2.558889 -1.693227 1.386633
O 0.894204 2.595342 0.701182
O 5.586708 1.366289 -0.385533
O 6.186941 -0.943855 -0.686546
N 0.743242 0.289741 0.099128
N -4.093100 -0.271002 0.373061
N -6.704879 -0.157886 -0.751106
C -1.642957 0.070388 -0.046313
C -0.322498 -0.740264 -0.018351
C -1.278196 1.386504 0.695266
C -2.796628 -0.705185 0.616638
C 0.236574 1.535532 0.501244
C -5.227117 -0.948760 1.050452
C -4.498649 0.886107 -0.455701
C -6.296317 -1.354853 0.016933
C -5.576232 0.456206 -1.477468
C 2.116887 -0.053239 -0.090605
C 3.123258 0.966345 -0.115063
C 2.474314 -1.420531 -0.261640
C 4.433751 0.543088 -0.316079
C 4.787923 -0.810617 -0.492513
C 3.822319 -1.816180 -0.467451
C 6.731135 0.437356 -0.577995
H -1.886620 0.307873 -1.097638
H -0.321385 -1.430162 0.845670
H -0.184995 -1.328506 -0.942214
H -1.480894 1.309243 1.780778
H -1.798311 2.283119 0.321630
H -5.677574 -0.249673 1.782578
H -4.823192 -1.823408 1.583955
H -3.630892 1.313066 -0.979786
H -4.929586 1.668016 0.201622
H -5.875024 -2.163029 -0.630190
H -7.175604 -1.762236 0.547300
H -5.934857 1.348194 -2.022507
H -5.102305 -0.237864 -2.216711
H -7.529234 -0.315140 -1.342255
H 2.861496 2.013992 0.034564
H 1.711036 -2.200656 -0.217981
H 4.088903 -2.867952 -0.595497
H 7.392316 0.493900 0.304924
H 7.247424 0.694120 -1.518616


