%chk=000208939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208939

0 1
I 4.738402 -0.553857 0.411000
I 0.135601 3.337092 1.363778
I -1.132180 -2.386121 0.495669
O -2.158121 0.929447 -0.026135
O -2.026154 0.664258 2.230494
O -5.369070 0.287566 -1.103763
O 3.255440 -2.201167 -1.896933
O 2.092745 3.497580 -1.168432
O -4.152596 -1.226765 0.063559
N 2.109111 -2.549915 0.075334
N 3.176086 2.247911 0.441453
C 1.729032 -1.200813 0.314850
C 2.230849 1.190464 0.520141
C -0.045174 0.391204 0.813151
C 2.662815 -0.152334 0.379452
C 0.871414 1.444941 0.802395
C 0.361551 -0.912621 0.548360
C -1.489368 0.654120 1.155882
C 2.911586 -2.971334 -1.033863
C 3.010560 3.403153 -0.391327
C -3.574558 1.185802 0.061864
C 3.236429 -4.434474 -0.991550
C 4.094432 4.419768 -0.192383
C -4.331418 -0.087745 -0.280995
C -6.310132 -0.741193 -1.548193
C -7.270916 -1.079319 -0.428181
H 1.576410 -3.260065 0.599472
H 4.107655 2.051093 0.838393
H -3.731124 1.983634 -0.695539
H -3.858318 1.546623 1.073818
H 2.347178 -5.066265 -1.124995
H 3.725299 -4.731065 -0.052531
H 3.931938 -4.686583 -1.810649
H 5.077598 4.056817 -0.522072
H 4.183332 4.739919 0.855759
H 3.872013 5.322953 -0.786743
H -6.792236 -0.224721 -2.398679
H -5.732062 -1.616158 -1.894704
H -6.756025 -1.592965 0.397852
H -7.736211 -0.178036 -0.008547
H -8.075012 -1.739228 -0.774759


%chk=000208939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208939

0 1
I 4.710623 -0.432899 0.856385
I -0.155481 3.307339 0.877378
I -0.927046 -2.680471 -0.230043
O -2.119676 0.898690 -0.939397
O -2.413426 0.344653 1.308724
O -5.777028 0.516670 -0.921337
O 3.533364 -2.207203 -1.822790
O 2.558730 3.372713 -1.260601
O -4.136314 -1.134393 -1.172764
N 2.297909 -2.565486 0.133711
N 2.977041 2.299273 0.777426
C 1.776483 -1.247805 0.260299
C 2.100674 1.196109 0.577508
C -0.176291 0.272417 0.301486
C 2.618127 -0.129095 0.499937
C 0.691044 1.372711 0.512796
C 0.374111 -1.022062 0.162933
C -1.672163 0.481708 0.313571
C 3.123490 -2.991736 -0.929333
C 3.184691 3.323254 -0.171059
C -3.541782 1.276783 -1.010967
C 3.503852 -4.466021 -0.863815
C 4.196587 4.374582 0.269470
C -4.468573 0.058714 -1.038459
C -6.854752 -0.527433 -0.927694
C -7.063320 -1.089338 0.480262
H 1.860596 -3.292971 0.706058
H 3.638510 2.237577 1.555984
H -3.633348 1.841117 -1.952019
H -3.814576 1.920634 -0.157246
H 2.737428 -5.091942 -0.373113
H 4.450128 -4.572593 -0.301423
H 3.673744 -4.833636 -1.887100
H 5.003475 3.960272 0.900120
H 3.676990 5.163336 0.845036
H 4.637070 4.838343 -0.625743
H -7.737320 0.018523 -1.296398
H -6.567818 -1.318839 -1.642387
H -6.162704 -1.622316 0.827820
H -7.299031 -0.283580 1.196182
H -7.907215 -1.803997 0.472304


