%chk=000109836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000109836

0 1
S 4.445861 0.349175 -0.065717
O 2.080743 2.035965 -0.047892
O -1.549865 -2.764354 -0.134097
O -0.417697 2.493484 -0.050796
O -2.797613 3.069749 0.105509
O 4.617548 1.062017 1.449798
O 5.302512 -0.814578 0.035651
O 4.709105 1.333052 -1.066060
N 1.003541 -3.393994 0.232099
N -4.123081 -2.308645 -0.205932
C 0.112597 -1.095871 -0.002695
C 0.387100 0.293629 -0.021957
C -2.396038 -0.571406 -0.050085
C -2.097329 0.823348 -0.004732
C -1.303502 -1.557471 -0.066069
C -0.695902 1.295191 -0.028537
C 1.719667 0.745550 -0.030142
C 1.179941 -2.013721 0.050106
C 2.799354 -0.177418 -0.020858
C 2.529932 -1.524834 0.031193
C -3.746904 -0.986909 -0.062803
C -3.135833 1.747097 0.059270
C -4.800099 0.000427 0.021863
C -4.504710 1.331771 0.080872
H 3.356280 -2.252842 0.065151
H -5.837509 -0.337910 0.029057
H -5.290672 2.084694 0.141564
H 1.734365 -3.999351 -0.112371
H 0.063362 -3.767331 0.076302
H 1.256836 2.693848 -0.063908
H -3.413619 -3.046611 -0.181402
H -5.070624 -2.589358 -0.027541
H -3.596059 3.658527 0.145653
H 5.459711 0.882180 1.898407


%chk=000109836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109836

0 1
S 4.635844 0.202969 0.013962
O 2.139380 1.980173 0.244398
O -1.589971 -2.852182 -0.137327
O -0.215298 2.506303 0.224294
O -2.744470 3.177880 0.223100
O 4.598907 1.474558 1.321244
O 5.518032 -1.028243 0.565402
O 4.973004 0.871822 -1.415554
N 0.923646 -3.496518 -0.123744
N -4.087933 -2.278741 -0.143601
C 0.125677 -1.172768 -0.020443
C 0.449854 0.219418 0.072651
C -2.333558 -0.552020 -0.010494
C -1.999616 0.856033 0.084050
C -1.279917 -1.576823 -0.059004
C -0.589477 1.253291 0.129786
C 1.809764 0.655403 0.112903
C 1.184953 -2.150598 -0.051236
C 2.822826 -0.337833 0.055092
C 2.546859 -1.693736 -0.015416
C -3.718713 -0.957717 -0.055168
C -3.046203 1.822731 0.131020
C -4.735199 0.052051 -0.006447
C -4.406236 1.400476 0.083717
H 3.374417 -2.412867 -0.028554
H -5.787149 -0.252835 -0.041261
H -5.205262 2.152224 0.119732
H 1.682698 -4.174308 -0.141324
H -0.074740 -3.763882 -0.154718
H 1.160833 2.499291 0.250750
H -3.314843 -2.966762 -0.173202
H -5.071086 -2.540148 -0.173008
H -3.577119 3.717426 0.243468
H 3.811494 2.063033 1.053835


