%chk=000208157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208157

0 1
S 4.896247 -0.581903 -1.560010
P 5.866010 -0.023679 0.166547
O -2.414771 2.056826 0.181845
O -4.195643 -2.119729 -0.370054
O 7.319883 -0.787914 -0.020049
O 6.233844 1.537328 -0.214354
O 5.239772 -0.233617 1.489300
N -3.297375 -0.031595 -0.117248
N 1.054109 -0.450783 -0.182024
C -1.927586 -0.571646 -0.408159
C -1.161917 -0.837242 0.895391
C -5.905389 1.083700 -0.185576
C -4.791321 1.903990 0.458762
C -5.764122 -0.391040 0.181217
C -3.410201 1.362965 0.166087
C -4.393216 -0.947194 -0.129733
C 0.232066 -1.415768 0.614005
C 2.508979 -0.806212 -0.152644
C 3.188207 0.019980 -1.242591
H -2.030294 -1.508174 -1.003475
H -1.380393 0.168183 -1.038764
H -1.081609 0.102010 1.480348
H -1.727783 -1.547078 1.531125
H -6.895258 1.464291 0.137107
H -5.880149 1.206261 -1.288762
H -4.834824 2.962712 0.119089
H -4.920801 1.952854 1.562308
H -5.972251 -0.554529 1.261358
H -6.523731 -1.004544 -0.352414
H 0.708458 -1.701533 1.578332
H 0.145966 -2.349829 0.012487
H 0.925181 0.500499 0.185962
H 2.976356 -0.633491 0.846903
H 2.617813 -1.894258 -0.367437
H 2.656844 -0.102530 -2.213987
H 3.175755 1.104072 -1.023396
H 7.615961 -1.366746 0.733086
H 6.665682 2.096563 0.482819


%chk=000208157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208157

0 1
S 4.811216 -0.205477 -1.816109
P 5.849840 0.512027 0.064311
O -2.335574 2.031626 0.302884
O -4.170318 -2.206653 -0.307576
O 6.769607 -0.783776 0.781827
O 7.208780 1.314054 -0.611917
O 4.905020 1.282868 1.088308
N -3.274952 -0.063286 -0.101302
N 1.061180 -0.476781 0.008195
C -1.914145 -0.606430 -0.381847
C -1.190770 -1.043253 0.909872
C -5.879454 1.079486 -0.209149
C -4.767375 1.877417 0.495525
C -5.756651 -0.408298 0.166934
C -3.373649 1.318572 0.228402
C -4.366887 -0.977625 -0.101294
C 0.239078 -1.543322 0.622964
C 2.444062 -0.852789 -0.328922
C 3.040848 0.218191 -1.254872
H -2.038619 -1.470496 -1.054802
H -1.329562 0.177553 -0.886358
H -1.148911 -0.187644 1.612176
H -1.761348 -1.853775 1.400357
H -6.871540 1.466522 0.083930
H -5.793302 1.199692 -1.305550
H -4.749242 2.936885 0.189585
H -4.928577 1.868216 1.593042
H -5.974170 -0.547985 1.245677
H -6.471901 -1.042948 -0.382653
H 0.679395 -1.933960 1.573823
H 0.200857 -2.396491 -0.083882
H 1.018046 0.397882 0.550146
H 3.103376 -0.976986 0.566166
H 2.422086 -1.825935 -0.854986
H 2.466692 0.300138 -2.192499
H 3.082816 1.204331 -0.762365
H 6.275200 -1.337984 1.437699
H 8.037349 1.217635 -0.072340


