%chk=000269589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269589

0 1
S 2.386275 1.439114 -0.281296
O 3.000073 2.594804 0.335534
O 2.767486 0.992424 -1.598216
O -4.498503 -0.181382 -1.591614
N 2.762888 0.183428 0.853361
N -4.227003 0.612782 0.526750
N 2.091932 -3.066275 -0.830645
C 0.672099 1.559109 -0.186934
C -2.112779 1.769022 -0.024193
C -3.620736 1.875706 0.052778
C -0.136986 0.850981 -1.084388
C 0.086758 2.381985 0.781896
C -1.525904 0.954226 -1.004063
C -1.302895 2.486006 0.869079
C 2.597426 -1.202869 0.642783
C 2.687912 -2.088871 1.738384
C 2.316657 -1.749194 -0.639647
C -4.598090 -0.381355 -0.393564
C 2.468630 -3.449276 1.530228
C -5.139395 -1.640731 0.216970
C 2.161370 -3.902579 0.236416
H -3.943053 2.703636 0.723177
H -4.028863 2.116536 -0.965890
H 0.315118 0.220612 -1.860041
H 0.717435 2.956266 1.470093
H -2.165363 0.404781 -1.706058
H -1.750181 3.128238 1.625735
H 3.244989 0.441332 1.724718
H -4.162673 0.425344 1.519566
H 2.924288 -1.718425 2.733184
H 2.307225 -1.124402 -1.548819
H 2.534885 -4.151586 2.358715
H 1.973299 -4.960760 0.031220
H -5.517019 -2.307854 -0.577633
H -4.369270 -2.202862 0.761878
H -5.976433 -1.456512 0.902937


%chk=000269589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269589

0 1
S 2.441954 1.288291 -0.114292
O 3.111506 2.717856 0.283943
O 2.825482 0.505555 -1.491965
O -5.544507 0.861702 -1.905198
N 2.841023 0.161830 1.487797
N -4.424433 0.477913 0.096917
N 1.507560 -3.278613 1.025376
C 0.571324 1.421560 -0.039404
C -2.207750 1.635378 0.049169
C -3.725870 1.771058 0.080331
C -0.183546 0.620144 -0.912852
C 0.008117 2.331762 0.867932
C -1.588120 0.736769 -0.857946
C -1.400405 2.430025 0.902457
C 2.856403 -1.237532 1.234082
C 4.045608 -1.989693 1.023443
C 1.613976 -1.938588 1.226368
C -5.311586 0.110091 -0.910580
C 3.947693 -3.384865 0.845952
C -5.980943 -1.248072 -0.733129
C 2.666154 -3.984501 0.841488
H -4.032716 2.385047 0.948835
H -4.087971 2.282400 -0.833641
H 0.315300 -0.052483 -1.617975
H 0.645138 2.944743 1.512783
H -2.210057 0.131176 -1.525437
H -1.872458 3.130877 1.600814
H 3.780307 0.542455 1.724974
H -4.256642 -0.159751 0.876582
H 5.019392 -1.485986 1.000569
H 0.682202 -1.389959 1.405584
H 4.841611 -3.997328 0.692905
H 2.549289 -5.062924 0.688397
H -7.070969 -1.102681 -0.636011
H -5.813784 -1.852819 -1.640401
H -5.616684 -1.809438 0.144533


