%chk=000220381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220381

0 1
O 3.055702 1.884550 0.205503
O 2.297951 -1.709865 0.846407
O 1.024564 2.834567 0.478322
O 1.912964 -0.591700 -1.079759
O -1.314665 -2.193724 -0.152872
O -3.173988 -2.918796 -0.967702
N -2.474768 -2.030857 -0.503462
C 1.340127 0.464856 1.063594
C -0.205007 0.332787 1.053601
C 1.845020 0.317328 2.520733
C -0.828869 0.515342 -0.338334
C 1.732595 1.856926 0.550159
C 1.883870 -0.622827 0.129227
C -2.325851 0.482842 -0.252393
C 3.361624 0.351068 2.656240
C -3.087327 -0.698845 -0.345336
C -3.014695 1.700671 -0.082849
C 3.580779 3.102118 -0.423357
C 2.650797 -2.924764 0.096783
C -4.497769 -0.657164 -0.296688
C -4.404185 1.739475 -0.019832
C -5.152095 0.556205 -0.130938
C 3.180594 3.120253 -1.882331
C 1.410866 -3.779359 -0.033917
H -0.482386 -0.671212 1.447347
H -0.631606 1.083209 1.751282
H 1.468034 -0.648822 2.923214
H 1.390441 1.115025 3.142245
H -0.490655 1.479919 -0.782982
H -0.444002 -0.267427 -1.035209
H 3.803298 1.245974 2.196928
H 3.663697 0.334095 3.709076
H 3.822481 -0.519995 2.167292
H -2.438912 2.626361 0.000958
H 4.665595 2.957780 -0.268077
H 3.210738 3.977439 0.138313
H 3.421510 -3.363169 0.754922
H 3.081969 -2.635882 -0.878949
H -5.064447 -1.590558 -0.393637
H -4.917769 2.693626 0.113931
H -6.240272 0.591751 -0.089362
H 3.334346 2.134638 -2.348346
H 2.116294 3.365580 -2.006404
H 3.760823 3.853859 -2.453011
H 0.991798 -4.046720 0.944639
H 0.605768 -3.249345 -0.573251
H 1.612919 -4.706710 -0.581217


%chk=000220381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220381

0 1
O 3.096183 1.902741 0.106551
O 2.290993 -1.793330 0.806671
O 1.010243 2.844681 0.515788
O 2.036378 -0.546000 -1.146930
O -1.498919 -2.335113 -0.172668
O -3.482126 -2.931576 -1.112574
N -2.700724 -2.059052 -0.567328
C 1.388587 0.445799 1.028142
C -0.174056 0.299260 1.006200
C 1.845904 0.314005 2.525030
C -0.840080 0.419904 -0.392576
C 1.772997 1.847412 0.511801
C 1.963828 -0.640917 0.100044
C -2.355433 0.441878 -0.271699
C 3.358442 0.409639 2.807555
C -3.222648 -0.685330 -0.364788
C -2.989442 1.697609 -0.064883
C 3.577172 3.197456 -0.474308
C 2.675365 -3.008079 0.013510
C -4.632820 -0.575202 -0.276662
C -4.388419 1.825564 0.050166
C -5.218425 0.683198 -0.058942
C 3.228626 3.269479 -1.963210
C 1.544571 -4.035567 0.085301
H -0.433897 -0.678611 1.448662
H -0.575207 1.095562 1.660114
H 1.473680 -0.662803 2.883201
H 1.308452 1.097800 3.095132
H -0.522500 1.372237 -0.851128
H -0.495424 -0.400336 -1.040185
H 3.776189 1.389138 2.519679
H 3.541566 0.263906 3.888088
H 3.912370 -0.372202 2.261118
H -2.352182 2.586953 0.000406
H 4.664714 3.165222 -0.302684
H 3.122479 4.028718 0.092992
H 3.598480 -3.369610 0.496854
H 2.887893 -2.692546 -1.022479
H -5.238926 -1.479263 -0.379096
H -4.832636 2.812910 0.216284
H -6.306020 0.774374 0.023076
H 3.611200 2.382904 -2.496080
H 2.136983 3.324375 -2.108656
H 3.684094 4.173179 -2.409174
H 1.326303 -4.310469 1.131777
H 0.618790 -3.647714 -0.370657
H 1.845298 -4.951687 -0.456933


