%chk=000217731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217731

0 1
O 3.158082 -0.010101 0.009966
O -2.850661 -1.178781 -2.092329
N -5.068552 0.558776 0.071305
N -2.427095 -0.297930 -0.005215
C -4.782153 -0.673167 -0.717931
C -6.349514 0.468535 0.840539
C -3.263738 -0.722663 -1.039356
C -6.594192 1.800947 1.568562
C -5.571853 -0.778737 -2.022705
C -0.994041 -0.235791 -0.062227
C -0.298635 0.530822 0.918720
C -0.276123 -0.931510 -1.045815
C 1.093061 0.564980 0.890814
C 1.790670 -0.146619 -0.106085
C -7.849052 1.731586 2.432864
C 1.121002 -0.892867 -1.077812
C -1.027804 1.296379 1.975851
C 3.988699 -0.679088 -0.988196
C 5.408468 -0.378563 -0.592385
C 6.415369 -0.439296 -1.567854
C 5.734537 -0.064321 0.733664
C 7.743000 -0.190767 -1.210588
C 7.063949 0.189180 1.082537
C 8.069408 0.123918 0.113032
H -4.997068 -1.574343 -0.080022
H -6.248493 -0.354865 1.581948
H -7.222541 0.216592 0.200616
H -5.091752 1.373973 -0.554119
H -5.713977 2.050398 2.195669
H -6.685865 2.627826 0.837293
H -5.221539 -1.635381 -2.621626
H -6.642458 -0.909873 -1.842421
H -5.436900 0.102989 -2.661058
H -2.864858 0.128362 0.820941
H -0.811973 -1.510332 -1.809667
H 1.660824 1.136555 1.622274
H -8.744236 1.518204 1.837269
H -7.771591 0.953236 3.201201
H -8.022675 2.682376 2.951321
H 1.648830 -1.438572 -1.852030
H -1.763917 1.989262 1.541824
H -1.556441 0.624522 2.667572
H -0.349909 1.907081 2.589278
H 3.780863 -1.765502 -0.948019
H 3.729726 -0.270738 -1.982342
H 6.168880 -0.677543 -2.600314
H 4.942455 -0.010450 1.483275
H 8.525170 -0.239958 -1.966289
H 7.315243 0.437224 2.112477
H 9.104271 0.318939 0.386789


%chk=000217731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217731

0 1
O 3.046369 0.177021 0.026888
O -3.009794 -1.767572 -2.158413
N -5.092377 0.483903 -0.081623
N -2.576073 -0.161782 -0.470606
C -4.900525 -0.681811 -0.995626
C -6.083304 0.306196 1.012991
C -3.386795 -0.925777 -1.283442
C -6.177828 1.573099 1.885693
C -5.687531 -0.576973 -2.321345
C -1.159896 -0.119655 -0.390893
C -0.565543 0.778031 0.555547
C -0.335342 -0.929492 -1.210454
C 0.838104 0.830108 0.648010
C 1.660344 0.018982 -0.170881
C -7.186998 1.415235 3.043080
C 1.070568 -0.863638 -1.105075
C -1.426446 1.659031 1.444912
C 3.937703 -0.658882 -0.783925
C 5.375637 -0.382581 -0.382990
C 6.420700 -0.753588 -1.265930
C 5.699529 0.201715 0.864778
C 7.771156 -0.555522 -0.902953
C 7.051229 0.405942 1.225046
C 8.091373 0.025588 0.346275
H -5.246037 -1.587150 -0.456736
H -5.752121 -0.546336 1.636986
H -7.099027 0.050295 0.626955
H -5.298919 1.337372 -0.622605
H -5.170994 1.805629 2.284105
H -6.474523 2.434312 1.251296
H -5.450206 -1.438694 -2.966625
H -6.775654 -0.556747 -2.129915
H -5.407503 0.341066 -2.872349
H -3.163361 0.442803 0.139620
H -0.810443 -1.605018 -1.925436
H 1.320869 1.507129 1.360469
H -8.205196 1.211148 2.662036
H -6.902013 0.578624 3.708047
H -7.234709 2.332062 3.657312
H 1.678101 -1.500136 -1.754456
H -2.066172 2.343047 0.852919
H -2.097530 1.060313 2.092532
H -0.799549 2.281146 2.104384
H 3.687522 -1.729051 -0.613327
H 3.786216 -0.440411 -1.861795
H 6.180811 -1.196269 -2.241498
H 4.889184 0.502018 1.534896
H 8.569753 -0.846532 -1.594644
H 7.291721 0.862751 2.191893
H 9.138421 0.183956 0.628069


