%chk=000208624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208624

0 1
O 2.421203 2.292123 0.509572
O -2.468206 -2.690083 -0.781803
O -1.694675 2.306659 1.144462
O -4.358435 1.376532 0.538438
O 3.529186 1.336200 -1.262048
N 2.960735 -2.621221 -0.016075
N 0.228854 -1.495921 -0.713804
N 4.675575 2.236756 0.557609
C 2.141291 -1.621467 0.743317
C 1.610090 -3.039618 0.481659
C 1.389044 -0.656564 -0.174894
C 0.526327 -2.958740 -0.597777
C 0.712624 0.560808 0.530806
C -0.954997 -0.927719 -0.276478
C -0.764000 0.302081 0.312034
C 4.142402 -3.183351 0.668740
C 1.132480 1.907675 -0.059763
C -2.334948 -1.528642 -0.464458
C -1.837035 1.201345 0.655597
C -3.441186 -0.594828 -0.181023
C -3.227051 0.649565 0.334041
C -4.815352 -1.088279 -0.484920
C 3.550664 1.905310 -0.191020
C -4.262459 2.698249 1.142249
H 2.441835 -1.253077 1.722514
H 1.484578 -3.795410 1.253922
H 2.029278 -0.344632 -1.044775
H 0.906828 -3.308051 -1.586676
H -0.382027 -3.548690 -0.353651
H 0.939883 0.570787 1.625204
H 4.389285 -4.147935 0.189817
H 4.051717 -3.347619 1.751646
H 4.994224 -2.501106 0.491093
H 0.480640 2.731750 0.305987
H 1.189312 1.909953 -1.162097
H -5.542700 -0.739198 0.263977
H -4.858276 -2.188061 -0.513764
H -5.157110 -0.719244 -1.463578
H -5.319400 2.986280 1.186055
H -3.681148 3.367138 0.499127
H -3.812634 2.632030 2.137987
H 4.582780 2.843975 1.359127
H 5.571703 2.246740 0.089924


%chk=000208624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208624

0 1
O 2.605317 2.133696 0.621214
O -2.445544 -2.633835 -1.089558
O -1.770435 2.286254 1.357276
O -4.426022 1.377009 0.533045
O 3.432611 1.574673 -1.524931
N 3.009786 -2.610310 -0.007510
N 0.211284 -1.529642 -0.517570
N 4.836775 2.262357 0.225472
C 2.176795 -1.657519 0.824307
C 1.673598 -3.069375 0.534104
C 1.367215 -0.674251 -0.026281
C 0.524429 -2.984403 -0.483903
C 0.685257 0.557978 0.666059
C -0.975455 -0.897033 -0.268612
C -0.795438 0.345659 0.339695
C 4.211601 -3.177614 0.657404
C 1.205729 1.915090 0.162111
C -2.332454 -1.464512 -0.576962
C -1.898427 1.179429 0.703533
C -3.478220 -0.605267 -0.266381
C -3.275283 0.649509 0.309025
C -4.866282 -1.103773 -0.595417
C 3.619094 1.955258 -0.341358
C -4.451314 2.755110 1.081291
H 2.527572 -1.361236 1.819558
H 1.653137 -3.838735 1.314904
H 1.969508 -0.358428 -0.898240
H 0.858970 -3.328454 -1.478301
H -0.372575 -3.552609 -0.194274
H 0.837205 0.535801 1.765212
H 4.469177 -4.130128 0.162550
H 4.087097 -3.369365 1.748677
H 5.050766 -2.473947 0.519431
H 0.621274 2.728658 0.618140
H 1.173631 1.977994 -0.939934
H -5.507068 -1.125519 0.304909
H -4.804971 -2.117400 -1.021901
H -5.366144 -0.436268 -1.321179
H -5.516759 3.028159 1.026888
H -3.832753 3.433415 0.472901
H -4.081351 2.769987 2.117265
H 4.887616 2.603582 1.182248
H 5.671954 2.192509 -0.348607


