%chk=000198699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198699

0 1
O 1.869241 0.043803 -1.239833
O 1.755082 -2.182303 1.550842
O 4.735028 -1.243220 1.458453
O 4.534176 0.707932 -0.380295
O 2.033285 1.880899 1.208762
O -5.396541 -0.284179 -1.900461
O -6.052476 0.201168 0.181236
N 0.462685 0.536306 0.466331
N 0.866790 1.689322 1.033285
C 2.385205 -1.010573 1.004526
C 3.764641 -1.423629 0.433627
C 1.335771 -0.567065 -0.046364
C 4.173087 -0.602293 -0.809973
C 3.027137 -0.574015 -1.823470
C -0.964337 0.424725 0.188252
C -1.888012 0.636887 1.224150
C -1.383433 0.103972 -1.114623
C -3.249976 0.513772 0.949700
C -2.746274 -0.020577 -1.376207
C -3.679678 0.180113 -0.345723
C -5.131061 0.053527 -0.588760
H 2.531841 -0.263837 1.820410
H 3.784241 -2.522230 0.237192
H 0.717103 -1.453021 -0.349029
H 5.122821 -0.989628 -1.250594
H 3.235180 0.110657 -2.672148
H 2.767207 -1.577531 -2.200796
H 2.255777 -2.493605 2.340775
H 5.073943 -0.303710 1.446387
H 3.715126 1.243517 -0.174447
H -1.548235 0.897457 2.228005
H -0.649883 -0.024737 -1.914844
H -3.990610 0.673469 1.741222
H -3.097750 -0.269139 -2.383308
H -6.373600 -0.369933 -2.074279


%chk=000198699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198699

0 1
O 2.120100 0.307208 -1.375783
O 1.480638 -2.107981 1.365694
O 4.516321 -1.783375 1.513723
O 4.643645 0.719033 0.117029
O 2.108267 1.914709 0.996227
O -5.618491 -0.619909 -1.600876
O -6.081805 0.412002 0.428798
N 0.446100 0.569917 0.224745
N 0.839797 1.754305 0.862102
C 2.294147 -1.008986 0.835025
C 3.668545 -1.524224 0.346393
C 1.417362 -0.413924 -0.309346
C 4.329923 -0.515210 -0.612634
C 3.403267 -0.281916 -1.812769
C -0.971241 0.413854 0.056846
C -1.851205 0.898524 1.058966
C -1.484188 -0.195373 -1.116527
C -3.237993 0.762708 0.885147
C -2.873973 -0.336343 -1.277815
C -3.760234 0.140555 -0.278930
C -5.235263 0.013350 -0.407100
H 2.483508 -0.256321 1.620873
H 3.537668 -2.504086 -0.147154
H 0.839349 -1.263594 -0.720363
H 5.304157 -0.907254 -0.951505
H 3.820084 0.467447 -2.503227
H 3.227383 -1.234265 -2.356562
H 1.981177 -2.517413 2.117253
H 4.929019 -0.908239 1.754498
H 3.798482 1.236994 0.271672
H -1.441302 1.363660 1.958468
H -0.808789 -0.523190 -1.912448
H -3.936446 1.121954 1.647531
H -3.283347 -0.799930 -2.179034
H -6.611160 -0.672386 -1.630915


