%chk=000212480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212480

0 1
O -0.767986 2.023678 -0.544071
O 3.287814 -1.618399 0.362252
N -3.878455 -0.394863 0.468306
C -2.523469 -0.486962 -0.157903
C -1.496432 -0.390001 1.000038
C -0.114570 -0.104037 0.494234
C -2.308873 -1.767252 -0.977085
C 0.201015 1.084246 -0.184440
C 0.916862 -1.038658 0.696003
C 2.202323 -0.772138 0.223463
C 2.520184 0.429805 -0.466865
C 1.497651 1.354523 -0.656777
C -4.948062 -0.061423 -0.512522
C 3.900247 0.676796 -0.973548
C -1.305435 2.792753 0.561498
C 3.089748 -2.854329 1.087064
H -2.383352 0.407174 -0.828060
H -1.519532 -1.310919 1.611838
H -1.815200 0.431112 1.687303
H -2.992722 -1.816933 -1.829986
H -2.449481 -2.672946 -0.380828
H -1.287421 -1.799685 -1.378301
H 0.694413 -1.966078 1.214870
H -4.113274 -1.276742 0.935606
H 1.678945 2.291937 -1.182112
H -4.728391 0.912762 -0.980519
H -5.900916 0.047001 0.030537
H -5.087375 -0.800450 -1.315290
H 4.198698 1.727059 -0.865498
H 4.644427 0.064476 -0.439177
H 3.977516 0.415277 -2.039181
H -1.992477 3.477854 0.052659
H -1.848586 2.134007 1.252630
H -0.503288 3.334395 1.067317
H 2.790333 -2.648934 2.118667
H 4.093242 -3.297656 1.050059
H 2.363577 -3.487351 0.569316


%chk=000212480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212480

0 1
O -0.945761 2.092118 0.291729
O 3.201718 -1.729466 0.281517
N -4.009296 -0.805296 0.494517
C -2.657517 -0.590571 -0.084781
C -1.638883 -0.510985 1.091398
C -0.221295 -0.161415 0.676540
C -2.247643 -1.656476 -1.136397
C 0.116255 1.158909 0.271182
C 0.808642 -1.131156 0.681279
C 2.130605 -0.807769 0.294838
C 2.465984 0.511388 -0.112910
C 1.439074 1.482446 -0.116244
C -5.150293 -0.562066 -0.406739
C 3.884866 0.848945 -0.522416
C -0.631681 3.479792 -0.042489
C 2.913205 -3.099688 0.700081
H -2.677158 0.404168 -0.569618
H -1.637208 -1.485284 1.622622
H -2.032217 0.250104 1.788960
H -2.988225 -1.712912 -1.955595
H -2.178196 -2.658331 -0.666598
H -1.263910 -1.421643 -1.581220
H 0.553658 -2.147547 0.998911
H -4.072919 -1.721234 0.961543
H 1.695334 2.500717 -0.426219
H -5.121958 0.488642 -0.750882
H -6.094608 -0.701790 0.150454
H -5.193268 -1.210490 -1.316103
H 3.972253 1.908885 -0.817134
H 4.594163 0.653459 0.302963
H 4.215706 0.219642 -1.369046
H -1.580413 4.025731 0.070331
H 0.125182 3.901427 0.648135
H -0.270294 3.575786 -1.085776
H 2.560301 -3.137440 1.749866
H 3.869362 -3.637201 0.612560
H 2.158133 -3.574300 0.042238


