%chk=000215557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215557

0 1
S -0.102980 0.809546 -1.087382
P 1.093579 0.200418 0.516746
O 2.141511 1.419946 0.792105
O 2.034542 -0.959711 -0.168006
O 0.304953 -0.163397 1.719233
O -3.133234 -0.578877 -1.186965
N -2.288801 -0.954088 0.901156
C -1.715302 1.146333 -0.245434
C -2.430487 2.163086 -1.104473
C -2.442426 -0.202207 -0.252845
C 3.006296 1.902497 -0.274396
C 1.628222 -2.343404 0.059629
C 4.131006 0.931060 -0.565883
C 0.558453 -2.757112 -0.930044
C -2.942023 -2.272533 1.025172
H -1.564641 1.541789 0.788123
H -2.673759 1.758503 -2.103289
H -3.392955 2.449936 -0.653378
H -1.846116 3.081366 -1.244847
H 2.410645 2.157949 -1.170465
H 3.377278 2.839349 0.196125
H 2.590443 -2.865902 -0.123956
H 1.323630 -2.491250 1.113846
H -1.631918 -0.697337 1.651724
H 4.906316 1.394914 -1.187115
H 4.610982 0.585304 0.361022
H 3.787428 0.026165 -1.094020
H 0.536017 -3.846168 -1.059735
H -0.453956 -2.449433 -0.632653
H 0.738959 -2.318002 -1.923685
H -3.620086 -2.278819 1.895500
H -3.545452 -2.499741 0.123276
H -2.195525 -3.073080 1.151514


%chk=000215557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215557

0 1
S -0.170719 0.534205 -1.348635
P 1.112035 -0.059425 0.464616
O 2.151675 1.252917 0.841652
O 2.207231 -1.249864 -0.145663
O 0.246041 -0.491518 1.734670
O -3.709095 -0.157082 -1.001110
N -2.450491 -0.917779 0.821261
C -1.724178 1.130875 -0.327373
C -2.327870 2.335851 -1.053142
C -2.722050 -0.044334 -0.208669
C 2.880873 2.014114 -0.220715
C 1.869225 -2.699964 0.051543
C 4.202937 1.344062 -0.597303
C 0.838714 -3.197912 -0.963802
C -3.282082 -2.099482 1.071383
H -1.327168 1.406181 0.665248
H -2.722470 2.037459 -2.038002
H -3.181345 2.720527 -0.465177
H -1.584974 3.141759 -1.174784
H 2.211501 2.141280 -1.094702
H 3.039337 2.996128 0.254704
H 2.847097 -3.190007 -0.083724
H 1.528300 -2.843338 1.093444
H -1.581205 -0.785716 1.368243
H 4.743444 1.983323 -1.320978
H 4.840484 1.214277 0.293516
H 4.036096 0.354332 -1.054431
H 0.707195 -4.289924 -0.844869
H -0.144008 -2.714791 -0.822941
H 1.175546 -3.002115 -1.995894
H -3.676617 -2.092037 2.103924
H -4.125756 -2.081662 0.362980
H -2.707104 -3.033237 0.921329


