%chk=000188346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188346

0 1
S -1.067183 2.214125 -0.488375
O 2.914779 -1.253633 1.159604
O -3.199223 -1.353202 0.895056
O 2.941035 -1.186443 -1.081181
O -2.494647 -1.189682 -1.227752
N 0.089730 -0.547416 -0.211049
C 1.306079 0.193301 0.203011
C -1.101921 -0.302519 0.638483
C 1.591132 1.474576 -0.604033
C -1.460613 1.160459 0.926337
C 0.682233 2.625947 -0.216552
C 2.442255 -0.807307 -0.053290
C -2.282171 -0.978973 -0.062824
H 1.281922 0.422737 1.303405
H -0.927993 -0.836166 1.620745
H 1.508587 1.258679 -1.693812
H 2.651802 1.777603 -0.460430
H -0.122041 -0.386012 -1.211625
H -2.545961 1.277998 1.137913
H -0.949485 1.515842 1.840765
H 0.847905 2.949160 0.827765
H 0.884558 3.515456 -0.851858
H 3.629996 -1.938825 1.069677
H -3.997275 -1.805405 0.509017


%chk=000188346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188346

0 1
S -1.246617 2.298001 -0.410344
O 2.997105 -1.296731 1.184415
O -3.399755 -1.063925 0.719229
O 2.963511 -1.107884 -1.132435
O -2.208064 -1.417083 -1.244592
N 0.120161 -0.554233 -0.083942
C 1.344197 0.198814 0.220500
C -1.092101 -0.361379 0.702007
C 1.546597 1.483207 -0.636643
C -1.437268 1.129234 1.052061
C 0.613959 2.645813 -0.262887
C 2.505514 -0.773340 -0.018153
C -2.246540 -1.001877 -0.068132
H 1.345359 0.454090 1.295072
H -1.033092 -0.895698 1.675163
H 1.426975 1.213608 -1.702155
H 2.592263 1.837568 -0.514524
H -0.052178 -0.738509 -1.078320
H -2.476242 1.213556 1.410744
H -0.767113 1.489880 1.852149
H 0.792474 2.991154 0.772501
H 0.775682 3.501817 -0.940631
H 3.698835 -1.975954 0.985377
H -4.140161 -1.469832 0.192537


