%chk=000207172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207172

0 1
O 2.307373 2.075215 2.746210
O 1.653551 -0.025843 -0.689212
O -3.566627 -0.345735 2.637089
N 3.263199 0.305376 0.928510
N -3.295895 0.131239 0.392315
C 0.883515 0.736451 1.412083
C -1.490562 0.611558 1.958822
C -0.408999 0.242986 1.157059
C 4.430932 -0.066054 0.183463
C 1.042999 1.605633 2.506210
C -4.553578 -0.335869 -0.115367
C 1.947767 0.317942 0.444213
C -2.870439 0.074022 1.733339
C -1.297809 1.472275 3.056898
C -0.033845 1.981515 3.330762
C 5.556596 -0.868184 -1.806757
C 4.372646 -0.512056 -1.142913
C -5.987707 -0.614911 -2.054334
C -4.779515 -0.177117 -1.497945
C 5.669647 0.029171 0.856202
C -5.525482 -0.927276 0.706139
C 6.789357 -0.776475 -1.142864
C -6.962276 -1.208978 -1.234419
C 6.834835 -0.329384 0.180676
C -6.723205 -1.359043 0.132451
C 5.486163 -1.344474 -3.221086
C -6.229283 -0.464797 -3.521632
H -0.543778 -0.442563 0.308416
H -2.150411 1.731831 3.693889
H 3.439051 0.635132 1.886742
H -2.670722 0.551708 -0.301497
H 0.119517 2.652329 4.172208
H 3.411463 -0.583606 -1.662383
H -4.027151 0.277315 -2.136020
H 5.723127 0.374453 1.883682
H -5.351795 -1.050071 1.779105
H 7.707714 -1.051808 -1.653450
H -7.899619 -1.552266 -1.663107
H 7.794654 -0.259629 0.692964
H -7.481217 -1.820427 0.766765
H 4.874498 -2.255606 -3.301679
H 5.020936 -0.589198 -3.871920
H 6.471092 -1.576109 -3.644856
H -5.757153 0.437341 -3.932891
H -5.817938 -1.325398 -4.070839
H -7.298347 -0.406876 -3.766125
H 2.343219 2.709762 3.509182


%chk=000207172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207172

0 1
O 2.471267 1.388567 3.212649
O 1.469812 -0.344353 -0.578642
O -3.900190 0.535598 2.724978
N 3.205087 0.370052 0.835405
N -3.320188 0.086661 0.494320
C 0.860827 0.565170 1.577120
C -1.560375 0.650968 2.113309
C -0.495659 0.330744 1.242657
C 4.353852 0.088649 0.045126
C 1.129381 1.142117 2.850007
C -4.587125 -0.214922 -0.083585
C 1.872100 0.159509 0.521224
C -3.021813 0.417247 1.812633
C -1.253195 1.215492 3.378953
C 0.079552 1.461281 3.743024
C 5.490068 -0.747242 -1.970740
C 4.297514 -0.496670 -1.245851
C -5.808771 -0.813140 -2.147068
C -4.605621 -0.499544 -1.476020
C 5.614832 0.425267 0.613518
C -5.797417 -0.238129 0.658837
C 6.739457 -0.407616 -1.395379
C -7.014469 -0.831565 -1.398394
C 6.796332 0.176412 -0.107800
C -6.997680 -0.548706 -0.014911
C 5.412763 -1.377072 -3.351658
C -5.804603 -1.146482 -3.629535
H -0.635133 -0.139186 0.260795
H -2.082069 1.443642 4.056003
H 3.379345 0.789015 1.760067
H -2.536974 0.068225 -0.161949
H 0.308739 1.901141 4.722423
H 3.323074 -0.749159 -1.669894
H -3.665526 -0.477360 -2.045600
H 5.661509 0.877842 1.612048
H -5.780531 -0.011971 1.725680
H 7.664261 -0.598955 -1.951798
H -7.960089 -1.065965 -1.901164
H 7.765074 0.437420 0.332610
H -7.934846 -0.563915 0.552993
H 4.941909 -2.377084 -3.308613
H 4.801328 -0.762122 -4.038047
H 6.414215 -1.493067 -3.800493
H -5.012130 -0.598176 -4.169165
H -5.626705 -2.227133 -3.793358
H -6.772265 -0.898054 -4.099415
H 2.541572 1.780073 4.116798


