%chk=000208601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208601

0 1
S 0.409472 0.300080 0.239188
O 2.057571 2.251071 0.560830
N 3.132181 0.209083 0.287568
N 2.242027 -1.689702 -0.523502
N 4.202281 -0.577138 -0.039024
C -0.759885 -1.045327 -0.159144
C -2.100195 -0.396271 -0.084253
C 1.938150 -0.475250 -0.015481
C -2.689280 0.143798 -1.239326
C -2.780926 -0.321171 1.142059
C 3.256167 1.570998 0.875410
C -3.946387 0.748741 -1.165837
C -4.037497 0.285897 1.208371
C -4.622636 0.820979 0.056309
C 3.650694 -1.726971 -0.520918
H -0.642317 -1.883753 0.555929
H -0.536102 -1.472900 -1.158147
H -2.166578 0.092750 -2.193272
H -2.329690 -0.733667 2.043411
H 3.250686 1.513836 1.990043
H 4.160662 2.078959 0.481341
H -4.400222 1.165211 -2.063854
H -4.561835 0.342222 2.161201
H -5.601828 1.292542 0.110668
H 4.211770 -2.582717 -0.870408
H 2.035813 2.542102 -0.386361


%chk=000208601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208601

0 1
S 0.324060 0.626244 0.302772
O 3.721029 2.640293 -0.195935
N 3.124882 0.341179 0.338857
N 2.060981 -1.451855 -0.497595
N 4.153017 -0.561316 -0.017288
C -0.842358 -0.849304 -0.147694
C -2.273378 -0.387344 -0.059115
C 1.890384 -0.211183 0.028155
C -2.904937 0.221564 -1.175171
C -3.013553 -0.557749 1.139644
C 3.484769 1.663964 0.851359
C -4.249337 0.646091 -1.096361
C -4.358715 -0.134587 1.220322
C -4.980056 0.468601 0.101998
C 3.444046 -1.611287 -0.504894
H -0.596567 -1.652363 0.562604
H -0.539223 -1.157136 -1.158938
H -2.339129 0.361054 -2.104111
H -2.533492 -1.025084 2.007935
H 2.638889 2.061616 1.432177
H 4.371195 1.522718 1.495974
H -4.726569 1.111609 -1.965743
H -4.920802 -0.275818 2.150068
H -6.023881 0.796103 0.163083
H 3.934424 -2.510462 -0.868263
H 4.526416 2.377856 -0.711040


