%chk=000186477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186477

0 1
O 1.854822 -0.354302 -0.478487
O 2.340998 -0.028619 1.738905
O 0.380733 -3.402217 0.455481
O -5.298047 0.380681 -0.010713
O -4.424799 2.254001 -0.646186
N 0.832355 -1.251985 -0.141130
N -4.343777 1.081606 -0.309478
C 3.383118 1.414815 -0.019025
C 2.442385 2.606333 -0.237961
C 4.483686 1.754245 0.989370
C 3.983680 0.930079 -1.340792
C 2.512312 0.301612 0.601339
C -0.465719 -0.668608 -0.168348
C -1.597151 -1.442168 0.173776
C -0.617241 0.682204 -0.561736
C 1.242244 -2.582535 0.238710
C -2.860428 -0.867837 0.125959
C -1.882468 1.249961 -0.606413
C -3.005889 0.476917 -0.261812
C 2.712644 -2.816569 0.300243
H 1.564945 2.328326 -0.845629
H 2.072543 3.020055 0.709407
H 2.955382 3.421956 -0.763126
H 4.071758 1.997258 1.979486
H 5.186356 0.924608 1.131484
H 5.067324 2.621979 0.657936
H 3.205323 0.650997 -2.066014
H 4.631702 0.057015 -1.205188
H 4.593075 1.714293 -1.807804
H -1.487283 -2.492005 0.475757
H 0.260201 1.275806 -0.840511
H -3.749944 -1.453646 0.389821
H -2.019710 2.294719 -0.909129
H 3.143957 -2.373168 1.216403
H 3.253515 -2.394434 -0.560168
H 2.926698 -3.898472 0.334772


%chk=000186477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186477

0 1
O 1.789797 -0.239505 -0.636850
O 2.146510 0.043172 1.680216
O 0.376495 -3.462892 0.147978
O -5.438920 0.293338 0.529619
O -4.631379 2.271786 -0.273953
N 0.761627 -1.207592 -0.278986
N -4.478967 1.038864 0.088778
C 3.461886 1.415469 0.046122
C 2.738511 2.505452 -0.799508
C 4.121582 2.054052 1.293103
C 4.535589 0.699141 -0.827517
C 2.436290 0.380037 0.527774
C -0.554531 -0.668933 -0.180609
C -1.641673 -1.454155 0.306887
C -0.782680 0.677224 -0.586812
C 1.200922 -2.547353 -0.119048
C -2.924174 -0.888351 0.393108
C -2.065686 1.237211 -0.498226
C -3.129120 0.450044 -0.006228
C 2.688281 -2.791067 -0.297905
H 2.286771 2.077009 -1.710370
H 1.951594 3.013974 -0.213336
H 3.477203 3.267444 -1.105650
H 3.374671 2.561501 1.927425
H 4.629297 1.295444 1.913098
H 4.869440 2.798950 0.967609
H 4.086085 0.239610 -1.723688
H 5.064119 -0.084478 -0.254757
H 5.284122 1.442886 -1.154169
H -1.469611 -2.487814 0.603953
H 0.039653 1.272883 -0.985275
H -3.768572 -1.471583 0.769461
H -2.259265 2.267188 -0.808357
H 3.259597 -2.350320 0.539116
H 3.067356 -2.356517 -1.237614
H 2.846480 -3.879221 -0.296191


