%chk=000199039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199039

0 1
S 2.474194 0.476725 -1.271985
N -2.640652 1.699069 -0.197924
N 1.983196 -0.385168 1.116978
N 3.274421 -0.689486 0.914025
N 4.976346 -0.620541 -0.822635
C -1.097580 -0.211586 0.042614
C 0.004127 0.712419 0.030803
C -2.411008 0.331329 -0.078936
C -0.950493 -1.627175 0.171436
C 1.377163 0.231375 0.119137
C -0.240990 2.064579 -0.081674
C -3.547698 -0.542507 -0.079324
C -2.054320 -2.443027 0.170436
C -1.594932 2.517950 -0.193166
C -3.365524 -1.895816 0.042086
C 3.741358 -0.324134 -0.302290
H 0.051389 -2.046762 0.282012
H 0.564192 2.797023 -0.077365
H -4.539397 -0.096717 -0.175048
H -1.946952 -3.522773 0.271817
H -1.800149 3.593281 -0.280786
H -4.218155 -2.575166 0.045345
H 5.354199 -0.022344 -1.543332
H 5.669265 -0.999447 -0.182425


%chk=000199039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199039

0 1
S 2.839787 1.279684 -0.443473
N -2.648728 1.701770 -0.214125
N 1.822124 -1.167301 -0.045268
N 3.195562 -1.364242 -0.090618
N 5.237191 -0.169709 -0.367035
C -1.136359 -0.291215 -0.007594
C 0.018636 0.575691 -0.196399
C -2.449121 0.337481 -0.026976
C -1.067091 -1.708269 0.194888
C 1.399625 0.084550 -0.200042
C -0.223136 1.951627 -0.382544
C -3.622184 -0.463588 0.153793
C -2.232239 -2.461777 0.368590
C -1.551228 2.462996 -0.384456
C -3.519628 -1.841447 0.348838
C 3.871436 -0.214590 -0.288411
H -0.085615 -2.187343 0.210793
H 0.605801 2.651899 -0.530068
H -4.586162 0.053548 0.131396
H -2.155433 -3.543963 0.521926
H -1.721793 3.536109 -0.530257
H -4.421298 -2.448131 0.486726
H 5.746609 0.694675 -0.520858
H 5.745242 -1.047355 -0.269026


