%chk=000126702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126702

0 1
 S    1.013000       1.036800      0.5513000    
 S   0.4003000       2.908200     -0.1503000    
 O  -0.6299000      -2.844600      -1.808900    
 O    3.168500      -2.048900      0.9604000    
 O   0.8333000       3.041200      -1.527600    
 O   0.7585000       3.906700      0.8380000    
 O   -3.901000      -1.699600      -1.255800    
 O   -4.736000      -2.774000      0.5580000    
 O    4.610900       1.201000      0.6233000    
 O    6.790000      0.6241000      0.8814000    
 N   0.6657000      -2.129900     -1.8300001E-02
 N    3.990900     -0.8613000     -0.8550000    
 N   -3.243000     -0.5755000       1.830900    
 C    1.623800      -1.364100     -0.7815000    
 C   -1.850200      -2.553100       1.450700    
 C   -1.242600      -3.521500      0.4337000    
 C    1.175500      8.3899997E-02 -0.9941000    
 C   -2.698700      -1.457400      0.7956000    
 C  -0.3906000      -2.811800     -0.6049000    
 C    2.993700      -1.482800     -0.1168000    
 C   -3.886900      -2.047000      5.7599999E-02
 C   -1.359000       2.754100     -0.1473000    
 C    5.367800     -0.8162000     -0.4214000    
 C   -2.088200       3.107200      0.9883000    
 C   -2.019500       2.278900      -1.280300    
 C   -3.477700       2.985000      0.9910000    
 C   -3.409000       2.156800      -1.277600    
 C   -4.138100       2.509900     -0.1419000    
 C    5.678200      0.3938000      0.4215000    
 H    1.712700      -1.838000      -1.768300    
 H   -2.464000      -3.139800       2.147400    
 H   -1.059900      -2.092500       2.055900    
 H  -0.6135000      -4.255300      0.9513000    
 H   -2.026000      -4.083100     -8.7200001E-02
 H    1.879300      0.6110000      -1.644900    
 H   0.2016000      9.2000000E-02  -1.494800    
 H   0.7928000      -2.175100      0.9881000    
 H   -2.097600     -0.8543000      0.1074000    
 H    3.765200     -0.4321000      -1.747000    
 H   -2.478100     -0.1233000       2.330500    
 H   -3.780800      0.1720000       1.396000    
 H    5.989300     -0.7835000      -1.320700    
 H    5.593700      -1.714300      0.1610000    
 H   -1.593800       3.472500       1.883900    
 H   -1.471800       1.993500      -2.173900    
 H   -4.045300       3.256800       1.876100    
 H   -3.923300       1.783900      -2.158500    
 H   -5.219700       2.412200     -0.1390000    
 H   -4.664300      -2.093100      -1.729800    
 H    4.837900       1.979800       1.174700    


%chk=000126702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126702

0 1
S -0.411463 0.006683 -0.215363
S 0.276670 2.493924 -0.559972
O -0.789252 -2.865829 -2.799598
O 2.152260 -2.376183 1.066891
O 1.078526 2.486998 -1.997502
O 1.007677 3.247367 0.738766
O -3.003480 -1.293218 2.546121
O -3.891592 -2.827262 1.043897
O 3.120253 1.798312 0.759001
O 3.371586 1.216818 3.009401
N 0.672034 -2.975266 -0.981184
N 3.398369 -0.735329 -0.007924
N -0.629214 -2.552716 2.535861
C 1.540184 -1.828115 -1.261544
C -1.298680 -4.107176 0.709335
C -1.469220 -4.170897 -0.826743
C 0.711944 -0.563524 -1.622051
C -1.434571 -2.689929 1.348969
C -0.501910 -3.292914 -1.638508
C 2.395940 -1.662529 0.034009
C -2.897975 -2.325646 1.606866
C -1.329613 3.451779 -0.788698
C 4.109255 -0.317311 1.212202
C -1.803372 4.212753 0.292341
C -1.966969 3.364970 -2.037286
C -3.003522 4.936132 0.098486
C -3.164627 4.097343 -2.206529
C -3.680599 4.874551 -1.142110
C 3.494926 0.973312 1.790214
H 2.210892 -2.028112 -2.123359
H -2.059033 -4.759658 1.175546
H -0.321651 -4.523667 1.021262
H -1.359341 -5.220320 -1.162726
H -2.487049 -3.858672 -1.117334
H 1.347389 0.309617 -1.886103
H 0.074512 -0.799679 -2.487673
H 0.863193 -3.375939 -0.053540
H -1.115375 -1.891469 0.558282
H 3.445689 -0.086401 -0.798435
H 0.381937 -2.666503 2.386233
H -0.889299 -1.789642 3.167057
H 5.174990 -0.140505 0.981496
H 4.032524 -1.116459 1.963295
H -1.241892 4.256132 1.230393
H -1.539188 2.770121 -2.850250
H -3.400812 5.547575 0.915101
H -3.687904 4.059245 -3.167216
H -4.609084 5.438120 -1.282337
H -3.958623 -1.044284 2.670057
H 2.418660 2.532603 0.961104


