%chk=000207729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207729

0 1
S -1.336297 -0.253763 1.248836
P -0.365498 -0.294817 -0.589547
O 0.067282 1.208522 -1.087172
O -1.066569 -1.054123 -1.650849
O 0.959032 0.307909 1.484759
N 1.200389 -1.049544 -0.218972
C -0.161664 2.383213 -0.264516
C -1.587329 2.873058 -0.436763
C 1.702873 -0.538198 0.974601
C 3.001082 -1.011493 1.521632
C -2.993578 -0.841115 0.752483
H 0.114905 2.196451 0.792238
H 0.572360 3.082729 -0.718077
H 1.650710 -1.757277 -0.803456
H -1.662472 3.948958 -0.238378
H -1.938583 2.706538 -1.466223
H -2.293871 2.371375 0.236054
H 2.984452 -2.087901 1.752322
H 3.242875 -0.485831 2.462217
H 3.836325 -0.834897 0.827580
H -3.400698 -1.425612 1.585361
H -2.984668 -1.486409 -0.140332
H -3.657657 0.006227 0.554501


%chk=000207729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207729

0 1
S -1.686225 -0.164237 1.491700
P -0.387182 -0.312826 -0.417798
O 0.078399 1.260519 -0.934614
O -1.029471 -1.241121 -1.543744
O 1.539922 0.592061 1.695204
N 1.161604 -1.018837 0.080837
C -0.284873 2.504392 -0.188957
C -1.609476 3.079411 -0.687970
C 1.938544 -0.445076 1.090192
C 3.250796 -1.156819 1.387371
C -3.223844 -0.985836 0.738548
H -0.291907 2.288192 0.893738
H 0.563187 3.173708 -0.410235
H 1.458113 -1.877260 -0.393086
H -1.785581 4.064938 -0.216322
H -1.589145 3.216401 -1.782548
H -2.456139 2.420260 -0.427620
H 3.068886 -2.193651 1.724142
H 3.779208 -0.611229 2.182273
H 3.892037 -1.195940 0.488354
H -3.533956 -1.784271 1.428178
H -2.954502 -1.416896 -0.242049
H -4.014996 -0.231881 0.622705


