%chk=000221006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221006

0 1
S -0.001338 0.845967 1.819168
O 1.277777 1.126327 0.786501
O -1.280252 1.121616 0.784694
O 0.000826 -0.591799 2.100069
C 3.299117 0.248630 -0.188900
C -3.298619 0.237811 -0.191213
C 1.754349 0.095220 -0.097134
C -1.753664 0.087628 -0.097245
C 3.812189 -0.814567 -1.177721
C 3.920800 0.021017 1.196952
C 3.641845 1.655936 -0.699841
C -3.808435 -0.828650 -1.178204
C -3.643487 1.643281 -0.705777
C -3.921520 0.012145 1.194418
H 1.472393 -0.900962 0.292123
H 1.266790 0.273322 -1.071012
H -1.265293 0.264477 -1.070936
H -1.470203 -0.907157 0.294539
H 3.586886 -1.830235 -0.836847
H 4.900045 -0.746898 -1.290805
H 3.376955 -0.690805 -2.173962
H 3.689976 -0.975378 1.587978
H 5.009399 0.124248 1.172087
H 3.532630 0.751145 1.917997
H 3.281058 1.818864 -1.719608
H 4.720210 1.836667 -0.694529
H 3.169368 2.417666 -0.064088
H -3.372051 -0.706493 -2.174140
H -4.896251 -0.763199 -1.292943
H -3.581770 -1.843098 -0.834602
H -3.281976 1.804522 -1.725553
H -4.722196 1.821997 -0.701979
H -3.173111 2.407381 -0.071304
H -3.689170 -0.982880 1.588008
H -5.010293 0.113121 1.167991
H -3.535684 0.744731 1.914219


%chk=000221006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221006

0 1
S -0.001076 0.975663 1.652029
O 1.449104 1.418649 0.560590
O -1.453339 1.413440 0.561287
O 0.001905 -0.643124 1.736737
C 3.514117 0.251322 -0.164388
C -3.513704 0.240293 -0.166999
C 1.968764 0.321638 -0.285948
C -1.968369 0.314932 -0.286139
C 3.987678 -0.890147 -1.104324
C 3.915456 -0.065493 1.297983
C 4.137926 1.598120 -0.610687
C -3.982587 -0.902466 -1.107710
C -4.140560 1.585382 -0.614173
C -3.916478 -0.077778 1.294713
H 1.521974 -0.642923 0.039856
H 1.662235 0.539564 -1.328381
H -1.660855 0.533655 -1.328120
H -1.519355 -0.648327 0.040435
H 3.572924 -1.868202 -0.794724
H 5.090300 -0.967277 -1.080869
H 3.685867 -0.701855 -2.152391
H 3.445914 -1.004237 1.647673
H 5.012328 -0.178372 1.379149
H 3.603377 0.748286 1.975962
H 3.892385 1.820500 -1.666817
H 5.239318 1.565862 -0.516373
H 3.756737 2.427636 0.010304
H -3.680135 -0.713067 -2.155386
H -5.084989 -0.983059 -1.085547
H -3.565137 -1.879270 -0.797763
H -3.893978 1.808550 -1.669893
H -5.242008 1.550064 -0.521594
H -3.762642 2.415887 0.007494
H -3.444920 -1.015285 1.645019
H -5.013160 -0.193709 1.374089
H -3.607713 0.736747 1.973307


