%chk=000236438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236438

0 1
S 2.038538 0.857617 0.372212
N -0.331635 -1.672584 -0.512867
C -0.439481 -0.409295 0.263149
C 0.402413 0.697843 -0.412980
C -1.883134 0.161785 0.375584
C -0.349439 2.013957 -0.197955
C -1.836193 1.624092 -0.099619
C 2.903013 -0.622590 -0.200041
H -0.052016 -0.621833 1.293815
H 0.540020 0.490806 -1.497335
H -2.232699 0.101739 1.419869
H -2.604680 -0.420242 -0.218691
H -0.164977 2.728857 -1.017506
H -0.029063 2.527328 0.730056
H -2.330010 1.729788 -1.081397
H -2.377463 2.290229 0.592355
H -0.711118 -1.569100 -1.449482
H -0.847842 -2.421514 -0.061088
H 3.294335 -0.489596 -1.213003
H 2.240815 -1.501863 -0.196505
H 3.740016 -0.817226 0.480129


%chk=000236438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236438

0 1
S 2.142944 0.790989 0.374838
N -0.220123 -1.736468 -0.015190
C -0.538072 -0.344637 0.360669
C 0.382627 0.705780 -0.313384
C -1.966611 0.168632 -0.016630
C -0.332506 2.056092 -0.066722
C -1.864995 1.725209 -0.043358
C 2.915862 -0.716338 -0.456980
H -0.390343 -0.257680 1.454462
H 0.464910 0.490383 -1.397745
H -2.736722 -0.201297 0.684427
H -2.223972 -0.222439 -1.021516
H -0.066464 2.804716 -0.831806
H -0.013995 2.463897 0.911492
H -2.378952 2.141253 -0.928051
H -2.343447 2.174029 0.845311
H -0.454782 -1.952095 -0.992390
H -0.613775 -2.436354 0.622546
H 3.035959 -0.535476 -1.538022
H 2.266937 -1.584845 -0.271564
H 3.904920 -0.855153 0.008313


