%chk=000074130.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074130

0 1
 S    2.820600      0.3967000      -2.135500    
 P    2.951000      1.2600000E-02 -0.2279000    
 O    1.868400      -1.024900      0.3886000    
 O    4.347700     -0.6628000      0.2676000    
 O    2.836500       1.271400      0.7965000    
 O   -4.331000      -1.786200     -7.2700001E-02
 O   -4.229400      0.4046000     -0.1670000    
 N   -3.676900     -0.7166000     -7.0400000E-02
 C   -2.121200       1.736000     -6.0500000E-02
 C   -1.490600      0.3856000      5.2800000E-02
 C   -2.260800     -0.7774000      4.5800000E-02
 C   -1.670200       2.488500      -1.325300    
 C   -1.871500       2.605400       1.184900    
 C  -0.1030000      0.3025000      0.1678000    
 C   0.5067000     -0.9431000      0.2752000    
 C   -1.643400      -2.023500      0.1537000    
 C  -0.2558000      -2.106500      0.2688000    
 C    4.677600      -1.980400     -0.1389000    
 C    3.645200       2.418200      0.5964000    
 H   -3.177500       1.888900     -0.1526000    
 H  -0.5928000       2.685700      -1.326100    
 H   -2.176200       3.457600      -1.407000    
 H   -1.908100       1.911000      -2.225700    
 H   -2.254200       2.111800       2.085400    
 H   -2.377100       3.574000       1.095200    
 H  -0.8066000       2.810200       1.339000    
 H   0.4846000       1.212300      0.1804000    
 H   -2.207800      -2.952500      0.1520000    
 H   0.2218000      -3.078700      0.3524000    
 H    5.628300      -2.259100      0.3226000    
 H    4.786100      -2.024900      -1.225100    
 H    3.906800      -2.682400      0.1886000    
 H    3.644600       3.009500       1.515400    
 H    3.233500       3.024500     -0.2140000    
 H    4.672700       2.126500      0.3631000    


%chk=000074130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074130

0 1
S 2.887113 0.529537 -2.042088
P 2.994880 -0.044040 -0.069556
O 1.782113 -1.141168 0.549937
O 4.393524 -0.895422 0.450539
O 2.895871 1.169444 1.144976
O -4.487208 -1.805607 0.306818
O -4.405926 0.212729 -0.741712
N -3.835612 -0.776744 -0.131980
C -2.193933 1.864181 -0.009448
C -1.608463 0.451447 0.101251
C -2.366756 -0.759069 0.054769
C -2.130421 2.337206 -1.490816
C -1.496297 2.884627 0.923439
C -0.209349 0.303264 0.271976
C 0.393851 -0.966651 0.362942
C -1.763834 -2.036325 0.188500
C -0.375468 -2.151805 0.327375
C 4.971008 -1.933558 -0.438274
C 3.783913 2.353927 1.026150
H -3.260739 1.822618 0.268390
H -1.084567 2.369497 -1.849235
H -2.559535 3.351908 -1.580292
H -2.708329 1.661059 -2.142486
H -1.461970 2.529194 1.969124
H -2.057634 3.836258 0.902655
H -0.463213 3.112266 0.600668
H 0.415521 1.196032 0.359475
H -2.404034 -2.921770 0.169741
H 0.117705 -3.123474 0.409225
H 5.968711 -2.130405 -0.020347
H 5.051903 -1.561076 -1.475883
H 4.351289 -2.845558 -0.403024
H 3.422084 3.046047 1.799921
H 3.692778 2.812064 0.024246
H 4.829023 2.063866 1.226523


