%chk=000237564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237564

0 1
S -4.032157 -1.793645 0.002807
O 6.999457 -1.238238 0.000033
O 7.958272 0.933307 0.000655
O -4.333008 -2.461576 -1.258532
O -4.333254 -2.456191 1.266949
N 1.788823 -0.569815 0.001289
N -6.722024 3.482300 -0.009227
C -2.339074 -1.400717 0.002316
C -4.823811 -0.260531 -0.000651
C -1.655211 -1.258950 -1.208812
C -1.654503 -1.259657 1.213131
C -5.167485 0.351639 -1.212858
C -5.165195 0.358344 1.208789
C 0.379706 -0.770296 0.001712
C 5.996685 -0.276358 0.000752
C 6.576768 1.028926 0.001123
C -0.299630 -0.933121 -1.222158
C -0.298913 -0.933830 1.225878
C 3.833261 0.698098 0.001836
C 4.636611 -0.475009 0.001087
C -5.814999 1.580796 -1.232963
C -5.812681 1.587599 1.223308
C -6.136655 2.213395 -0.006265
C 5.804958 2.170258 0.001841
C 4.406332 1.975331 0.002199
C 8.265976 -0.502953 -0.000026
C 2.354940 0.591120 0.002260
H -2.183035 -1.414147 -2.157132
H -2.181863 -1.415392 2.161665
H -4.934441 -0.150535 -2.159858
H -4.930374 -0.138544 2.158116
H 0.236372 -0.831904 -2.163580
H 0.237617 -0.833168 2.167057
H 4.185206 -1.469350 0.000783
H -6.070815 2.049151 -2.178173
H -6.066716 2.061184 2.166388
H 6.241706 3.164909 0.002121
H 3.768517 2.860229 0.002768
H 8.791386 -0.732671 -0.936401
H 8.791925 -0.733443 0.935857
H 1.822167 1.559405 0.003484
H -7.142978 3.828668 0.837163
H -7.144564 3.823982 -0.856731


%chk=000237564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237564

0 1
S -4.089099 -1.713261 0.371938
O 7.091384 -0.809631 -1.285571
O 8.125889 0.948816 -0.019874
O -4.461286 -2.710855 -0.875928
O -4.337706 -2.101426 1.946898
N 1.880226 -0.585028 -0.201532
N -7.143338 3.442354 -0.610973
C -2.243500 -1.321008 0.208498
C -4.996398 -0.098392 0.062536
C -1.644158 -1.445599 -1.057193
C -1.526735 -1.000719 1.372488
C -5.395694 0.209034 -1.250025
C -5.316620 0.715940 1.162893
C 0.493492 -0.805109 -0.021057
C 6.120177 -0.113140 -0.524265
C 6.736883 0.925562 0.218271
C -0.263484 -1.192563 -1.163996
C -0.147527 -0.735349 1.253222
C 3.976663 0.519392 0.361167
C 4.752009 -0.344425 -0.479697
C -6.112528 1.397449 -1.475002
C -6.034259 1.903489 0.935617
C -6.436088 2.265851 -0.387066
C 6.001989 1.783656 1.041163
C 4.602724 1.561206 1.101125
C 8.399681 -0.219652 -0.907330
C 2.524098 0.340032 0.470696
H -2.238771 -1.768182 -1.918091
H -2.034339 -0.996273 2.343002
H -5.173570 -0.484721 -2.067821
H -5.032325 0.406206 2.174170
H 0.255997 -1.289651 -2.121873
H 0.444313 -0.517251 2.149133
H 4.257630 -1.137000 -1.045848
H -6.435113 1.655109 -2.490497
H -6.296814 2.551407 1.779993
H 6.486065 2.582825 1.607075
H 3.987029 2.209031 1.735751
H 8.912547 0.136514 -1.814989
H 8.986173 -0.964770 -0.340985
H 1.998636 1.054208 1.140411
H -7.391948 4.056591 0.159037
H -7.449006 3.697931 -1.545472


