%chk=000200986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200986

0 1
S -3.756712 -0.351953 -0.573572
S 2.603280 1.102833 1.994980
P 3.033926 0.633555 0.210181
O 1.933111 1.108202 -0.945197
O -4.507881 0.681258 -1.257546
O -3.900113 -1.749731 -0.928601
O 3.206173 -0.946920 -0.162571
O 4.396574 1.259082 -0.452797
N -4.153501 -0.224406 1.101078
C -2.068799 0.054489 -0.673728
C -1.104757 -0.954478 -0.583708
C -1.684780 1.386266 -0.869112
C 0.613426 0.701279 -0.798867
C 0.254923 -0.644501 -0.641112
C -0.334857 1.728846 -0.924902
C -3.529276 -1.237636 1.981820
C -4.142024 1.148377 1.655447
C 4.163295 -1.713458 0.649998
C 3.979984 -3.125074 0.131453
C 4.583297 2.688483 -0.282283
H -1.414462 -2.002009 -0.479864
H -2.446778 2.166776 -0.985400
H 1.009303 -1.434369 -0.590677
H -0.008006 2.756685 -1.069896
H -2.455744 -1.076078 2.169530
H -3.675559 -2.244020 1.542376
H -4.045605 -1.245744 2.958694
H -3.134712 1.565543 1.813361
H -4.667996 1.158032 2.627170
H -4.713525 1.819110 0.983830
H 5.179698 -1.322583 0.450384
H 3.902905 -1.623144 1.722636
H 4.730197 -3.807037 0.549586
H 2.985367 -3.521390 0.376092
H 4.068790 -3.156245 -0.965572
H 5.565367 2.844212 -0.755953
H 4.627922 2.969796 0.778462
H 3.812647 3.248053 -0.827223


%chk=000200986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200986

0 1
S -3.959175 -0.501906 -0.515514
S 2.836482 0.770480 2.295110
P 3.176356 0.524646 0.280045
O 1.911627 1.010691 -0.829207
O -4.731378 0.511639 -1.525714
O -4.053396 -2.122066 -0.615694
O 3.481497 -1.054766 -0.323537
O 4.486707 1.387407 -0.424027
N -4.624775 -0.075617 1.211638
C -2.121427 -0.047016 -0.580215
C -1.176268 -1.020029 -0.210849
C -1.770079 1.240840 -1.023418
C 0.561751 0.617289 -0.688954
C 0.192044 -0.682664 -0.268790
C -0.402317 1.578615 -1.070287
C -3.986251 -0.924596 2.243394
C -4.557104 1.384115 1.451585
C 4.609547 -1.838321 0.284622
C 4.558493 -3.217018 -0.363085
C 4.745741 2.781231 0.010555
H -1.500694 -2.025840 0.074637
H -2.543199 1.945246 -1.346518
H 0.961880 -1.420217 -0.021869
H -0.069804 2.564116 -1.407513
H -2.955332 -0.606637 2.519237
H -3.977317 -1.968517 1.888434
H -4.622423 -0.877348 3.145812
H -3.536278 1.757676 1.693788
H -5.224556 1.606894 2.303687
H -4.950692 1.909273 0.565515
H 5.553573 -1.308946 0.061489
H 4.459603 -1.883812 1.380394
H 5.377233 -3.843728 0.035998
H 3.599574 -3.718421 -0.148802
H 4.678489 -3.139373 -1.456394
H 5.757915 3.002269 -0.357824
H 4.708161 2.862396 1.112417
H 4.010890 3.462113 -0.451649


