%chk=000219234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219234

0 1
S 2.209229 -0.253012 1.566528
P 1.295131 0.002040 -0.116839
N 1.753591 -1.213951 -1.347766
N 1.783841 1.514124 -0.939394
N 1.551884 -2.465251 -0.656886
N 1.550218 2.519738 0.069587
C -0.553404 0.003507 -0.044784
C -1.302094 0.214845 -1.205708
C -1.171926 -0.211031 1.183767
C -2.697305 0.210136 -1.130905
C -2.574084 -0.214971 1.252879
C -3.332200 -0.005211 0.100331
H -0.835619 0.385438 -2.175440
H -0.596132 -0.377496 2.102930
H 1.131465 -1.205004 -2.190636
H 1.193016 1.744893 -1.772697
H -3.293482 0.373753 -2.026408
H -3.066677 -0.382072 2.209783
H -4.420704 -0.008073 0.154686
H 1.693454 -3.226890 -1.336414
H 2.325906 -2.589263 0.025100
H 1.706447 3.442321 -0.362051
H 2.302244 2.445331 0.782839


%chk=000219234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219234

0 1
S 2.016428 -0.161952 1.788197
P 1.012285 -0.068983 -0.054883
N 1.314234 -1.459786 -1.146374
N 1.596824 1.269708 -1.079773
N 2.540125 -2.170957 -1.044343
N 2.240223 2.396808 -0.512313
C -0.841670 0.019157 0.028451
C -1.566856 0.572917 -1.053609
C -1.510714 -0.478396 1.171418
C -2.978526 0.608928 -0.995991
C -2.921695 -0.436254 1.222170
C -3.655462 0.101912 0.138026
H -1.027717 0.988079 -1.912119
H -0.924518 -0.870843 2.010925
H 0.508771 -2.084829 -1.267807
H 2.026042 0.942889 -1.953342
H -3.546657 1.036152 -1.829384
H -3.446010 -0.817296 2.105113
H -4.749867 0.134948 0.181316
H 3.278339 -1.732741 -1.604922
H 2.831344 -2.345787 -0.068095
H 2.895110 2.147906 0.247327
H 1.562767 3.112323 -0.227489


