%chk=000064279.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064279

0 1
 S    3.897500     -0.8621000      0.1135000    
 S    5.961000     -0.6897000      0.4384000    
 O   -2.267300       1.990700      0.3685000    
 O    6.355000      -2.043400       1.256600    
 O    6.609100     -0.7469000     -0.8577000    
 O    6.166200      0.4415000       1.322400    
 N    1.280800       1.231500     -0.2139000    
 N    1.666400      0.1019000      -2.302100    
 C   -2.793500      0.6785000      0.2327000    
 C   -2.669300      -1.469000      -1.080300    
 C   -4.892400     -0.6405000     -0.2198000    
 C   -3.164800      -1.527000       1.393600    
 C   -2.089900     -5.3700000E-02 -0.9229000    
 C   -4.300100      0.7702000     -6.8999998E-02
 C   -2.581200     -0.1118000       1.536400    
 C   -4.177000      -1.367200      -1.372600    
 C   -2.460300      -2.248000      0.2305000    
 C   -4.669500      -1.423700       1.086500    
 C  -0.8741000       1.968600      0.6503000    
 C  -0.1585000       1.259700     -0.4946000    
 C  -0.3846000       3.402200      0.8029000    
 C    2.030600      0.6801000      -1.106400    
 C    3.516000      0.6582000     -0.7929000    
 H   -2.189500      -2.002800      -1.911000    
 H   -5.964900     -0.5721000     -0.4329000    
 H   -3.014900      -2.087400       2.323200    
 H   -1.103800     -0.4112000      -1.176800    
 H   -2.349100      0.5136000      -1.834200    
 H   -4.470300       1.358200     -0.9802000    
 H   -4.811800       1.316100      0.7343000    
 H   -3.047000      0.4152000       2.379000    
 H   -1.527400     -0.2358000       1.802800    
 H   -4.601400      -2.370700      -1.501000    
 H   -4.342400     -0.8298000      -2.314400    
 H   -2.856200      -3.265900      0.1278000    
 H   -1.388200      -2.343200      0.4425000    
 H   -5.186700     -0.9242000       1.914900    
 H   -5.103100      -2.427600      0.9992000    
 H  -0.6651000       1.507700       1.620900    
 H  -0.4079000       1.572000      -1.509100    
 H  -0.2062000      0.2458000     -0.1160000    
 H  -0.5279000       3.964000     -0.1271000    
 H   0.6720000       3.451300       1.082400    
 H  -0.9668000       3.921500       1.572400    
 H    3.779000       1.527600     -0.1820000    
 H    4.096600      0.6947000      -1.719600    
 H   0.7011000      5.0700001E-02  -2.606400    
 H    2.356100     -0.3106000      -2.921800    
 H    5.877100      -2.175500       2.108900    


%chk=000064279-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064279

0 1
S 4.824444 -0.787487 1.343970
S 6.529882 -0.766587 -0.479964
O -1.977753 1.499453 -0.193261
O 7.623484 0.530869 0.306839
O 7.376306 -2.115722 -0.738851
O 5.849501 -0.036124 -1.776158
N 1.650242 0.830975 0.611726
N 3.070865 0.450252 -1.316079
C -2.885806 0.315501 -0.102789
C -3.681730 -1.792840 -1.280280
C -5.371557 -0.202752 -0.262098
C -3.875513 -1.588173 1.241908
C -2.616103 -0.659328 -1.283597
C -4.301933 0.922256 -0.264255
C -2.805944 -0.454831 1.239129
C -5.097919 -1.177418 -1.439491
C -3.599963 -2.564365 0.065453
C -5.292615 -0.974501 1.082943
C -0.713742 1.550441 0.558212
C 0.411540 0.760269 -0.175759
C -0.364157 3.037702 0.677876
C 2.823436 0.716396 0.017907
C 4.048903 0.875390 0.890595
H -3.477999 -2.485360 -2.120612
H -6.376201 0.248968 -0.376399
H -3.810615 -2.135478 2.202686
H -1.604749 -1.101598 -1.196446
H -2.651157 -0.089080 -2.231454
H -4.336108 1.498683 -1.208268
H -4.480743 1.635506 0.562879
H -2.987468 0.238958 2.083634
H -1.802821 -0.903782 1.379809
H -5.860528 -1.981491 -1.453480
H -5.171842 -0.637428 -2.404519
H -4.341779 -3.387323 0.077148
H -2.598088 -3.025312 0.179841
H -5.507731 -0.288970 1.927048
H -6.056128 -1.777262 1.109080
H -0.833977 1.113205 1.568250
H 0.491932 1.173027 -1.209440
H 0.099446 -0.301630 -0.259458
H -0.283402 3.494276 -0.325448
H 0.599021 3.152742 1.204688
H -1.150480 3.572865 1.236389
H 3.754671 1.331504 1.850946
H 4.835053 1.494610 0.423099
H 2.302114 0.261488 -1.957434
H 4.040606 0.337205 -1.654176
H 8.336502 0.773999 -0.356444


