%chk=000037624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037624

0 1
 S   -3.098200      0.2517000       2.093600    
 O   -2.267400       1.156100      -2.136100    
 O   -6.223900     -0.5959000      -1.605900    
 O   -6.265700       1.583200     -0.9381000    
 O   0.7243000       1.436400      -1.233000    
 O    3.790700     -0.5020000       2.079500    
 O    4.695200       1.500600      -1.646900    
 N   -3.636300       1.296400     -0.2188000    
 N  -0.6190000       1.048200      0.6182000    
 N    2.838900      0.2775000      0.1248000    
 N    5.141500      0.5451000      0.4995000    
 N    6.833200       1.500000     -0.7016000    
 C   -3.007000       1.737700       1.029400    
 C   -4.683500     -0.2843000       1.275200    
 C   -4.488700      0.1248000     -0.2006000    
 C   -1.711900       1.937000      0.2301000    
 C   -2.518500       1.444200     -0.9880000    
 C   -4.829500      -1.800300       1.419100    
 C   -5.844400      0.4256000       1.985000    
 C   -5.741200      0.4795000     -0.9366000    
 C   0.5270000      0.8697000     -0.1597000    
 C    1.493900     -0.1452000      0.4364000    
 C    1.214000      -1.545100     -5.7999998E-02
 C    3.906200      6.1999999E-02  0.9887000    
 C   0.3287000      -2.367100      0.6395000    
 C    1.840400      -2.015600      -1.212200    
 C    6.366800      0.3167000       1.250100    
 C    7.428800       1.142600      0.5545000    
 C    5.457400       1.217800     -0.7317000    
 C   7.0000000E-02  -3.659600      0.1830000    
 C    1.581600      -3.308000      -1.668600    
 C   0.6964000      -4.130000     -0.9710000    
 H   -3.463700       2.644400       1.436500    
 H   -3.959500     -0.6560000     -0.7642000    
 H   -1.391700       2.980800      0.1453000    
 H   -4.897400      -2.101800       2.470800    
 H   -5.739900      -2.149900      0.9192000    
 H   -3.984800      -2.336100      0.9703000    
 H   -5.868600      0.1825000       3.054100    
 H   -5.786000       1.515800       1.892300    
 H   -6.808500      0.1120000       1.568500    
 H  -0.6852000      0.5269000       1.489100    
 H    1.395900     -0.1283000       1.529600    
 H   -7.048000     -0.3840000      -2.093900    
 H    3.009400      0.7317000     -0.7667000    
 H  -0.1663000      -2.013400       1.539800    
 H    2.522800      -1.395200      -1.786300    
 H    6.593300     -0.7545000       1.201000    
 H    6.235900      0.5890000       2.302200    
 H    7.645500       2.066600       1.099100    
 H    8.358300      0.5923000      0.3881000    
 H    7.321700       1.986700      -1.446600    
 H  -0.6198000      -4.299200      0.7257000    
 H    2.066400      -3.673400      -2.569200    
 H   0.4942000      -5.135800      -1.327100    


%chk=000037624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037624

0 1
S -3.185775 0.168473 1.882455
O -2.883525 -0.486024 -2.368741
O -7.467035 0.048811 -0.643657
O -6.485033 2.144211 -0.896657
O 0.965642 1.752250 -0.854734
O 3.921181 -0.774111 1.998852
O 4.864517 1.874450 -1.252618
N -3.892839 0.850578 -0.602742
N -0.648314 0.268159 -0.067818
N 3.044215 0.301069 0.110720
N 5.294146 0.643827 0.760075
N 6.967615 1.836360 -0.149211
C -2.955098 1.370451 0.425022
C -5.078245 0.020277 1.417103
C -5.121536 0.184381 -0.174563
C -1.760829 1.044831 -0.550341
C -2.855760 0.308665 -1.416611
C -5.577018 -1.372049 1.841682
C -5.831403 1.148684 2.154893
C -6.379820 0.936990 -0.616272
C 0.664615 0.673827 -0.267359
C 1.722060 -0.303411 0.294705
C 1.604253 -1.707348 -0.328307
C 4.047872 0.006612 1.001316
C 1.821799 -2.847696 0.484247
C 1.321732 -1.879861 -1.707335
C 6.464737 0.337930 1.614639
C 7.536626 1.364159 1.125155
C 5.632460 1.499451 -0.320789
C 1.754618 -4.144518 -0.073633
C 1.253726 -3.175192 -2.263582
C 1.469023 -4.311389 -1.448219
H -3.098842 2.410092 0.746708
H -5.156450 -0.819070 -0.638763
H -1.353687 1.944395 -1.044104
H -5.529998 -1.489131 2.938624
H -6.629704 -1.498968 1.527907
H -4.976498 -2.174736 1.379910
H -5.668057 1.055826 3.241127
H -5.490690 2.149811 1.839565
H -6.919949 1.077700 1.965584
H -0.835242 -0.642245 0.361239
H 1.559853 -0.410163 1.386572
H -8.288231 0.536267 -0.925700
H 3.202413 0.988617 -0.645774
H 2.076155 -2.708835 1.541153
H 1.149141 -1.005416 -2.346801
H 6.786110 -0.706856 1.456253
H 6.210799 0.458046 2.678759
H 7.654910 2.197604 1.844774
H 8.519409 0.883614 0.980944
H 7.413931 2.507437 -0.770224
H 1.928914 -5.020289 0.561507
H 1.027117 -3.299163 -3.328241
H 1.413789 -5.316585 -1.881293


