%chk=000234796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234796

0 1
S 3.115700 -0.359217 0.331776
S -0.663961 -0.707694 -1.657731
S -1.108251 -0.780135 1.377298
O 0.120330 1.580275 -0.122155
O 4.297433 -0.639451 -0.459897
O 3.185541 -0.505653 1.766691
N -2.979379 -0.514083 -0.451219
C 1.073994 -0.345095 -1.302957
C 1.238586 1.140250 -0.862518
C 1.753494 -1.277553 -0.333023
C 2.543538 1.268380 -0.078651
C -1.669623 -0.634924 -0.192213
C -3.962419 -0.523369 0.658776
C -3.517206 -0.374772 -1.823141
H 1.539802 -0.467319 -2.324260
H 1.212659 1.818912 -1.750023
H 1.071509 -1.631702 0.482096
H 2.066008 -2.226836 -0.810813
H 3.303563 1.834473 -0.651940
H 2.393388 1.898937 0.823204
H 0.100861 1.212373 0.802676
H -3.776891 0.323863 1.350950
H -3.872833 -1.453016 1.257735
H -4.993329 -0.448971 0.283065
H -4.601494 -0.171820 -1.808605
H -3.359068 -1.298136 -2.412199
H -3.036154 0.470086 -2.357221


%chk=000234796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234796

0 1
S 3.217819 -0.728436 0.099269
S -0.859676 0.357177 -1.626441
S -1.596280 0.363947 1.439805
O 1.152188 1.826125 0.863707
O 3.924311 -1.452276 -1.193117
O 3.725786 -1.033487 1.615883
N -3.181034 -0.550870 -0.564698
C 0.955590 0.172229 -1.039967
C 1.606743 1.471931 -0.465057
C 1.267125 -0.998687 -0.122230
C 3.110858 1.192742 -0.324689
C -1.978312 -0.012296 -0.192228
C -4.248418 -0.700508 0.455371
C -3.527106 -1.015247 -1.929011
H 1.416636 -0.020645 -2.030261
H 1.442094 2.302703 -1.183817
H 0.834781 -0.931695 0.884825
H 1.186953 -1.991910 -0.582848
H 3.701275 1.296280 -1.246024
H 3.533988 1.716646 0.542357
H 0.192611 1.554764 1.015945
H -4.296592 0.203028 1.085327
H -4.037948 -1.560695 1.116470
H -5.210569 -0.850931 -0.059217
H -4.105865 -1.951046 -1.850889
H -2.614661 -1.210075 -2.511610
H -4.136496 -0.260964 -2.461154


