%chk=000191006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191006

0 1
O -2.763503 -0.790932 -0.853321
O -1.610358 -1.446233 -2.683251
O -0.413262 0.626547 1.276223
O -2.011353 2.193100 1.211767
N -4.663518 0.560752 0.535040
C -3.889872 1.332518 -0.521103
C -2.714284 0.623955 -1.239298
C -5.455730 -0.556392 -0.106946
C -5.629174 1.533958 1.189616
C -3.768968 0.001037 1.612076
C -1.361819 1.195341 -0.849448
C 1.879385 -1.494172 0.358017
C 3.199615 -1.287025 -0.392757
C 0.884557 -2.324425 -0.464650
C 4.173138 -0.428303 0.426353
C -0.456000 -2.431826 0.273403
C 5.496233 -0.209260 -0.319305
C -1.613188 -2.839483 -0.656501
C -1.936546 -1.680408 -1.549445
C 6.464894 0.653142 0.500961
C -1.214663 1.361877 0.695003
C 7.789863 0.874986 -0.241916
C 8.756991 1.733623 0.570788
H -4.594540 1.730253 -1.275853
H -3.406638 2.239080 0.023586
H -2.867405 0.657280 -2.343651
H -6.034326 -1.126028 0.636529
H -4.762011 -1.268670 -0.610272
H -6.148814 -0.178837 -0.874423
H -6.232379 1.041752 1.969556
H -6.314433 1.990534 0.458868
H -5.066667 2.356993 1.683583
H -2.991032 -0.673971 1.186345
H -4.327489 -0.534560 2.385784
H -3.165686 0.824990 2.096908
H -1.196937 2.182220 -1.316029
H -0.536916 0.552610 -1.213434
H 1.417274 -0.507263 0.609678
H 2.066140 -1.978995 1.333793
H 3.004183 -0.802260 -1.368749
H 3.661680 -2.264699 -0.625634
H 1.295418 -3.330045 -0.667721
H 0.741657 -1.850882 -1.456764
H 4.364579 -0.906405 1.405865
H 3.702575 0.547879 0.659246
H -0.684182 -1.445208 0.759130
H -0.376725 -3.157988 1.102593
H 5.299972 0.271708 -1.296821
H 5.963565 -1.185235 -0.550853
H -1.328835 -3.718337 -1.272946
H -2.493449 -3.139074 -0.055920
H 5.995740 1.629001 0.732308
H 6.658265 0.175610 1.480477
H 8.259525 -0.100995 -0.472363
H 7.595371 1.355841 -1.220456
H 8.334163 2.721841 0.785136
H 8.998966 1.266948 1.532301
H 9.698449 1.887936 0.032900


%chk=000191006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191006

0 1
O -2.779384 -0.971045 -0.861228
O -1.997546 -1.715980 -2.933305
O -0.360040 1.098270 0.609659
O -2.104753 2.648861 0.477924
N -4.561195 0.597167 0.761179
C -4.150952 1.104374 -0.654417
C -3.010530 0.393845 -1.435534
C -5.412569 -0.657989 0.630435
C -5.387268 1.726669 1.374503
C -3.397136 0.319279 1.730863
C -1.697677 1.218008 -1.434055
C 1.873619 -1.550335 0.246610
C 3.181228 -1.141342 -0.466954
C 0.830678 -2.170097 -0.710565
C 4.211319 -0.495741 0.487062
C -0.437167 -2.629568 0.043309
C 5.524345 -0.082997 -0.215584
C -1.606954 -3.071148 -0.889341
C -2.125524 -1.905566 -1.706379
C 6.553135 0.564660 0.738724
C -1.315538 1.704029 -0.004631
C 7.870432 0.969153 0.037959
C 8.891232 1.618615 0.997653
H -5.093990 1.073245 -1.227952
H -3.790583 2.141039 -0.482542
H -3.342104 0.244153 -2.481560
H -5.722780 -0.986155 1.635422
H -4.800606 -1.429778 0.144373
H -6.300852 -0.432457 0.018382
H -5.790377 1.389518 2.342692
H -6.211193 1.989691 0.692205
H -4.715047 2.587074 1.515243
H -2.765230 -0.468972 1.306793
H -3.848526 0.002575 2.686462
H -2.809286 1.247491 1.833406
H -1.871328 2.097559 -2.083308
H -0.891650 0.611427 -1.878830
H 1.415307 -0.658447 0.717292
H 2.110532 -2.272140 1.057879
H 2.941046 -0.424304 -1.279551
H 3.637730 -2.028979 -0.955660
H 1.271371 -3.026321 -1.263682
H 0.559653 -1.408877 -1.469280
H 4.443760 -1.204932 1.309810
H 3.751828 0.394254 0.963638
H -0.779174 -1.800351 0.690803
H -0.186537 -3.482849 0.704186
H 5.291356 0.626153 -1.037517
H 5.980711 -0.975011 -0.695220
H -1.271881 -3.853764 -1.591569
H -2.431906 -3.479350 -0.274251
H 6.100028 1.461129 1.211395
H 6.780801 -0.140154 1.566226
H 8.321864 0.071782 -0.433331
H 7.640529 1.671190 -0.789698
H 8.473119 2.533975 1.457824
H 9.159939 0.925626 1.817572
H 9.823216 1.899241 0.472465


