%chk=000231437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231437

0 1
S -1.520019 -0.990132 0.000609
N 3.423028 -0.313214 -0.000051
N -0.309460 1.399605 -0.000697
N 2.100280 1.814905 -0.001080
N 3.128233 -1.654771 0.000688
C -2.955776 0.133475 0.000147
C -4.189915 -0.758960 -0.000873
C 1.159775 -0.499091 0.000192
C -0.132233 0.063881 0.000008
C 2.256140 0.446867 -0.000385
C -5.464251 0.084778 0.001853
C 1.785393 -1.794926 0.000787
C 0.811999 2.218250 -0.001198
H -2.918278 0.798485 -0.884998
H -2.919229 0.797924 0.885740
H -4.192580 -1.425530 -0.889190
H -4.191488 -1.429466 0.884479
H -5.524402 0.733591 -0.880153
H -6.357111 -0.551869 0.000418
H -5.523810 0.728767 0.887429
H 1.292200 -2.756886 0.001331
H 4.380807 0.011452 -0.000278
H 0.614596 3.303465 -0.001777


%chk=000231437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231437

0 1
S -1.512892 -1.170772 0.000660
N 3.449603 -0.223194 -0.000602
N -0.333989 1.315762 0.000144
N 2.068357 1.822580 -0.000495
N 3.262132 -1.610030 -0.000336
C -2.975209 0.045541 0.000781
C -4.289330 -0.752957 0.000217
C 1.221591 -0.530040 -0.000054
C -0.112878 -0.026517 0.000245
C 2.256323 0.469267 -0.000405
C -5.508403 0.198401 0.000597
C 1.912530 -1.788698 -0.000195
C 0.751977 2.161963 -0.000208
H -2.867660 0.680465 -0.892759
H -2.868085 0.679857 0.894809
H -4.329989 -1.410052 -0.889772
H -4.330229 -1.411010 0.889490
H -5.506784 0.850017 -0.892587
H -6.452296 -0.375464 -0.000067
H -5.507239 0.848719 0.894725
H 1.509825 -2.799489 -0.000048
H 4.394611 0.155055 -0.000844
H 0.521933 3.231196 -0.000294


