%chk=000127592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127592

0 1
 S    1.226600       2.563600      0.8086000    
 O    3.936300      -1.119100      0.3819000    
 O   0.5055000      -1.432000     -0.8033000    
 O    2.198500      -3.713800      -1.286400    
 O    1.841700       3.620800      2.8999999E-02
 O   0.8596000       2.796400       2.192300    
 O   0.8679000      -5.413600      0.4107000    
 O    4.345200       2.246400     -0.3202000    
 N    2.189200       1.166300      0.7238000    
 N   -4.342400     -0.5807000     -0.3922000    
 C    2.828300     -0.8981000     -0.5023000    
 C    2.568600      0.6103000     -0.5956000    
 C    1.642000      -1.736500      1.7300000E-02
 C    1.858800      -3.259100      2.4700001E-02
 C  -0.2394000       2.047600     -3.3599999E-02
 C   -1.126600       1.111700      0.5081000    
 C   0.6033000      -4.014900      0.4591000    
 C   -2.278700      0.7527000     -0.2314000    
 C    3.789100       1.402000      -1.015600    
 C   -3.174700     -0.1860000      0.3059000    
 C  -0.4677000       2.627300      -1.276900    
 C  -0.9046000      0.5214000       1.763000    
 C   -2.501100       1.343300      -1.486000    
 C   -1.600600       2.274400      -2.004100    
 C   -2.938200     -0.7625000       1.554100    
 C   -1.805400     -0.4095000       2.281300    
 C   -5.581900      0.1401000     -0.2031000    
 C   -4.299300      -1.698400      -1.309100    
 H    3.130400      -1.245200      -1.498300    
 H    1.791200      0.8018000      -1.339600    
 H    1.396300      -1.433400       1.041200    
 H    2.694900      -3.523300      0.6813000    
 H    2.386300      0.6073000       1.562000    
 H   0.2983000      -3.745500       1.474900    
 H  -0.2333000      -3.831700     -0.2221000    
 H    4.168900       1.173900      -2.026700    
 H    4.252800      -2.026500      0.2365000    
 H   0.2100000       3.351500      -1.717500    
 H   0.7074000      -1.731600      -1.706300    
 H  -2.9899999E-02  0.7049000       2.373300    
 H   -3.372900       1.100000      -2.088100    
 H   -1.784000       2.723100      -2.976100    
 H    2.331600      -4.675900      -1.236800    
 H   -3.629800      -1.491400       1.969300    
 H   -1.617000     -0.8674000       3.248000    
 H    1.592200      -5.595600       1.033500    
 H   -6.031800     -0.1255000      0.7592000    
 H   -5.417000       1.223100     -0.2184000    
 H   -6.308500     -8.8200003E-02 -0.9900000    
 H   -3.803100      -2.560800     -0.8502000    
 H   -5.303800      -2.021600      -1.602800    
 H   -3.752800      -1.431800      -2.219500    


%chk=000127592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127592

0 1
S 1.233945 2.292391 0.739410
O 4.265380 -1.567472 -0.403599
O 2.416629 -2.136548 -2.725323
O 2.101816 -2.967428 0.026576
O 1.841435 3.345237 -0.357636
O 1.013348 2.714673 2.293959
O -0.612721 -3.328065 0.015540
O 4.931456 1.268269 1.501870
N 2.340707 0.746646 0.781284
N -4.455227 -1.159391 0.005253
C 3.454374 -0.581369 -1.125012
C 3.353603 0.742621 -0.299569
C 2.120351 -1.190618 -1.638563
C 1.273218 -1.871512 -0.542161
C -0.367470 1.617071 -0.030501
C -1.175539 0.661364 0.667403
C -0.028834 -2.498908 -1.063735
C -2.374819 0.210917 -0.028791
C 4.754557 1.002612 0.292151
C -3.240635 -0.774927 0.611594
C -0.643652 2.112087 -1.299358
C -0.831112 0.101079 1.940506
C -2.622569 0.677922 -1.360343
C -1.789404 1.610416 -1.983602
C -2.802992 -1.371160 1.816366
C -1.618431 -0.924325 2.469521
C -5.463023 -0.143684 -0.380444
C -5.045645 -2.460048 0.361783
H 4.041373 -0.331084 -2.031116
H 3.141862 1.582618 -1.003156
H 1.514469 -0.399830 -2.117533
H 1.066950 -1.136494 0.257101
H 2.827747 0.854897 1.705117
H -0.738528 -1.723954 -1.409322
H 0.187328 -3.195662 -1.888156
H 5.599019 0.931732 -0.428690
H 3.646658 -2.209561 0.067073
H 0.024080 2.850562 -1.755284
H 2.986098 -2.850625 -2.333570
H 0.035044 0.476983 2.489231
H -3.463350 0.256088 -1.916870
H -1.997237 1.944651 -3.004500
H 1.470981 -3.589025 0.481797
H -3.422233 -2.128638 2.304326
H -1.347410 -1.371760 3.431815
H -1.097315 -2.742164 0.656890
H -6.304197 -0.143832 0.345161
H -5.024275 0.864619 -0.379245
H -5.876845 -0.352187 -1.385401
H -5.569193 -2.448100 1.344516
H -5.785871 -2.735531 -0.409919
H -4.267498 -3.241253 0.381956


