%chk=000245991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245991

0 1
O -8.060275 0.558990 -0.128113
O -2.224242 -1.918554 0.497029
O 6.299366 -1.751114 0.596872
N 6.075119 0.436045 -0.107434
N -1.748807 0.286002 -0.085377
N -0.394328 0.091679 -0.023956
C 4.649077 0.537741 -0.147685
C 1.862558 0.865066 -0.267931
C 4.100267 1.777510 -0.543633
C 3.802438 -0.533518 0.186531
C 2.717695 1.931365 -0.600631
C 2.421401 -0.365216 0.124793
C -4.049274 -0.395603 0.140840
C 0.405957 1.074201 -0.343236
C -4.862408 -0.963695 -0.856812
C -4.587427 0.493247 1.079294
C -2.613548 -0.812245 0.222264
C -6.208381 -0.627452 -0.936121
C -5.937530 0.842229 1.023308
C -6.728433 0.274593 0.011800
C 6.821629 -0.708604 0.264089
C 8.309952 -0.498949 0.203726
H 4.743858 2.613150 -0.804619
H 4.222341 -1.498602 0.494704
H 2.301888 2.890756 -0.907208
H 1.762063 -1.200952 0.384912
H 6.583638 1.280377 -0.376005
H 0.093655 2.075713 -0.673798
H -4.432203 -1.674614 -1.567223
H -3.952926 0.910855 1.864042
H -6.863839 -1.047241 -1.697380
H -6.361413 1.527127 1.750394
H -2.152266 1.184041 -0.377513
H 8.661647 -0.255944 -0.807393
H 8.826529 -1.427024 0.505174
H 8.653678 0.289639 0.885641
H -8.390558 1.179903 0.569457


%chk=000245991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245991

0 1
O -8.242765 0.576145 0.052227
O -2.357996 -2.051067 -0.160695
O 6.519790 -1.888853 0.197689
N 6.136647 0.421957 -0.000848
N -1.744185 0.216226 -0.111315
N -0.389697 -0.050766 -0.075271
C 4.717539 0.496330 -0.035641
C 1.882919 0.797121 -0.116510
C 4.132241 1.786742 -0.155203
C 3.874393 -0.650453 0.042834
C 2.735511 1.932555 -0.195049
C 2.480256 -0.491051 0.002224
C -4.118197 -0.382330 -0.038526
C 0.430366 0.978334 -0.158389
C -5.108994 -1.287214 -0.508588
C -4.535373 0.864213 0.498332
C -2.686210 -0.835538 -0.099704
C -6.471878 -0.952740 -0.475397
C -5.901374 1.210775 0.543618
C -6.868490 0.302370 0.046943
C 6.959607 -0.707280 0.110613
C 8.452831 -0.376278 0.107159
H 4.774018 2.675380 -0.217017
H 4.327876 -1.638675 0.133488
H 2.300336 2.935433 -0.287991
H 1.823535 -1.364861 0.061290
H 6.621092 1.320867 -0.067961
H 0.062504 2.022035 -0.258627
H -4.779019 -2.258254 -0.891214
H -3.808736 1.561478 0.932586
H -7.239962 -1.640212 -0.840616
H -6.211375 2.171370 0.974721
H -2.081323 1.184680 -0.219819
H 8.751190 0.131187 -0.829156
H 9.018273 -1.314834 0.194645
H 8.722114 0.280234 0.955494
H -8.430567 1.465874 0.442475


