%chk=000246396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246396

0 1
O 2.446807 0.585643 -2.646260
O -4.767083 0.541921 -2.973519
O -4.501593 0.878686 1.600353
O 4.405939 0.093904 1.512033
N -2.450808 -0.561240 -0.317432
N -0.251608 -0.008758 -1.259885
N 2.121630 -0.164232 1.423907
N -0.342534 -0.380332 1.016164
N 3.429521 0.346148 -0.574256
C -1.072559 -0.281761 -0.160229
C 1.066427 0.078432 -0.762526
C 0.978994 -0.168746 0.632756
C -3.223501 0.444827 -1.108024
C -3.138701 -1.035737 0.918827
C 2.292895 0.358716 -1.463458
C 3.400678 0.095761 0.827573
C -3.740210 -0.255383 -2.378520
C -3.394495 0.048668 1.976798
C 2.028522 -0.418962 2.881635
C 4.772378 0.633148 -1.151337
H -0.498136 0.104341 -2.227166
H -2.626194 1.344451 -1.357744
H -4.094295 0.840040 -0.518148
H -2.521436 -1.854534 1.363515
H -4.098636 -1.496113 0.590793
H -4.264809 -1.203563 -2.145599
H -2.940416 -0.453053 -3.110639
H -2.554595 0.770510 2.053542
H -3.577850 -0.392713 2.971503
H 3.038771 -0.403432 3.335373
H 1.568089 -1.405375 3.068017
H 1.407519 0.354861 3.366463
H 4.740390 0.516212 -2.251205
H 5.527079 -0.058715 -0.736972
H 5.079528 1.666057 -0.915042
H -4.401567 1.373813 -3.334650
H -5.347535 0.398611 1.702561


%chk=000246396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246396

0 1
O 2.293244 1.243689 -2.548614
O -4.426375 -0.242043 -3.322009
O -4.566576 1.345105 1.623237
O 4.477549 -0.305831 1.349731
N -2.477627 -0.130559 -0.064479
N -0.338583 0.455550 -1.097786
N 2.132831 -0.426108 1.303319
N -0.325538 -0.447491 1.006738
N 3.375382 0.461560 -0.572193
C -1.105602 -0.046157 -0.050092
C 1.011385 0.369713 -0.696546
C 0.971302 -0.188131 0.586860
C -3.272775 0.364617 -1.202122
C -3.157746 -0.670740 1.130412
C 2.208070 0.738436 -1.382827
C 3.392443 -0.101972 0.730790
C -3.480207 -0.708609 -2.302431
C -3.549105 0.417310 2.150193
C 2.077628 -1.015577 2.653570
C 4.700706 0.789783 -1.143221
H -0.642297 0.820880 -1.997378
H -2.801054 1.273623 -1.629836
H -4.255358 0.688456 -0.822673
H -2.468310 -1.380631 1.620106
H -4.056977 -1.227000 0.801279
H -3.955470 -1.603466 -1.867730
H -2.511596 -1.016557 -2.749961
H -2.674449 1.046054 2.378009
H -3.895267 -0.064162 3.089420
H 3.111318 -1.103558 3.018372
H 1.601921 -2.010219 2.614819
H 1.489967 -0.368487 3.326454
H 4.525828 1.224041 -2.138750
H 5.317845 -0.120509 -1.221469
H 5.226599 1.508062 -0.493112
H -4.003171 0.458724 -3.878964
H -5.453331 0.904307 1.648087


