%chk=000145769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145769

0 1
 S   0.1062000      -2.101900       2.299600    
 P  -2.9100001E-02  -2.114700      0.3519000    
 O   -1.535800      -2.184000     -0.2593000    
 O   0.5900000     -0.8507000     -0.4528000    
 O   0.6707000      -3.367400     -0.4181000    
 O   -6.546500       1.560900     -0.5720000    
 O    6.668200      0.4032000      0.3910000    
 O   -5.178500       2.880700      0.5261000    
 O    5.953500       2.414400     -0.1220000    
 N   -5.434000       1.793400     -4.3000001E-02
 N    5.747800       1.193700      7.5800002E-02
 C   -3.174700       1.001500      0.4854000    
 C    3.368800       1.529300     -0.4126000    
 C   -2.483900      -1.208600     -0.2037000    
 C    1.854200     -0.3430000     -0.3241000    
 C   -2.202800      2.6000000E-03  0.4285000    
 C    2.080000       1.012300     -0.5437000    
 C   -4.427600      0.7892000     -8.9900002E-02
 C    4.425400      0.6885000     -6.2600002E-02
 C   -3.736900      -1.420900     -0.7788000    
 C    2.904300      -1.186400      2.5100000E-02
 C   -4.708600     -0.4218000     -0.7220000    
 C    4.193100     -0.6693000      0.1562000    
 C   -2.842000       2.287500       1.170700    
 C    3.584300       2.988400     -0.6549000    
 C   0.1538000      -4.676800     -0.2507000    
 H   -1.239400      0.2022000      0.8810000    
 H    1.246500       1.655300     -0.8151000    
 H   -3.960900      -2.362800      -1.272200    
 H    2.764100      -2.247400      0.1949000    
 H   -5.672100     -0.6261000      -1.181900    
 H    4.989700      -1.357000      0.4285000    
 H   -1.813800       2.260700       1.555200    
 H   -2.859200       3.136800      0.4798000    
 H   -3.466300       2.454600       2.054700    
 H    3.924400       3.508500      0.2468000    
 H    4.238200       3.169800      -1.514400    
 H    2.634800       3.473500     -0.9172000    
 H  -0.8895000      -4.716800     -0.5736000    
 H   0.2335000      -4.983700      0.7949000    
 H   0.7404000      -5.363500     -0.8659000    


%chk=000145769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145769

0 1
S -0.075011 -1.913846 2.272015
P -0.045995 -1.974783 0.228161
O -1.550199 -1.901298 -0.649360
O 0.766786 -0.706402 -0.648701
O 0.627410 -3.353730 -0.542293
O -7.110003 1.072962 -0.314113
O 6.992717 0.037070 0.382731
O -5.899278 2.698453 0.715338
O 6.483479 2.211239 -0.042225
N -5.993933 1.543563 0.141465
N 6.145900 0.970567 0.091161
C -3.501541 1.127314 0.484546
C 3.711246 1.547340 -0.406460
C -2.601902 -0.997208 -0.387327
C 2.112049 -0.330662 -0.412718
C -2.419086 0.236767 0.270192
C 2.395507 1.042211 -0.551650
C -4.776213 0.711080 -0.009574
C 4.724713 0.586508 -0.097452
C -3.870783 -1.393628 -0.866703
C 3.126919 -1.269384 -0.119193
C -4.954307 -0.527662 -0.676767
C 4.435512 -0.793565 0.042434
C -3.219699 2.428405 1.208845
C 3.928455 3.037178 -0.578804
C 0.200206 -4.700548 -0.075826
H -1.424948 0.525155 0.625198
H 1.572763 1.724423 -0.784525
H -3.983310 -2.354114 -1.375502
H 2.901109 -2.336817 -0.046847
H -5.954524 -0.788052 -1.030753
H 5.258919 -1.474622 0.270259
H -2.154877 2.481354 1.490952
H -3.472770 3.303074 0.585674
H -3.836046 2.526605 2.118651
H 4.365838 3.492150 0.326215
H 4.644410 3.250268 -1.390897
H 2.970679 3.534817 -0.804827
H -0.830618 -4.901865 -0.411559
H 0.275344 -4.774098 1.024107
H 0.905382 -5.392020 -0.558266


