%chk=000019713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019713

0 1
 S    1.856800      0.8652000      0.7162000    
 S  -0.9485000     -0.1403000      0.5311000    
 S    3.748800      0.8574000      -2.223200    
 P    3.726600      0.6457000     -0.2733000    
 O    4.277800     -0.8173000      0.2072000    
 O    4.792900       1.610400      0.5026000    
 O   -3.904000     -0.2058000     -0.3273000    
 O   -5.880200      -1.198400      0.2925000    
 N   -5.753800       1.071800     -0.1683000    
 C    5.601600      -1.226700     -9.4499998E-02
 C    5.815500      -2.644500      0.4134000    
 C    6.583200     -0.2468000      0.5301000    
 C   -1.771700      -1.303500     -0.5822000    
 C   0.7169000     -0.2199000     -0.1793000    
 C   -3.243000      -1.460800     -0.2318000    
 C   -7.138200       1.410200      6.8700001E-02
 C    4.703500       3.019700      0.3772000    
 C   -5.243800     -0.2026000     -3.6100000E-02
 C   -7.940400      0.1862000      0.4770000    
 H    5.737500      -1.239100      -1.180900    
 H    5.673300      -2.695300       1.498600    
 H    5.080400      -3.323500     -3.1900000E-02
 H    6.818400      -3.009700      0.1728000    
 H    6.293700      4.4300001E-02   1.544900    
 H    6.724000      0.6400000     -9.3999997E-02
 H    7.578800     -0.7026000      0.5948000    
 H   -1.273000      -2.276100     -0.5282000    
 H   -1.680100     -0.9154000      -1.602000    
 H   0.6752000      9.3500003E-02  -1.225300    
 H    1.092800      -1.245100     -0.1254000    
 H   -3.703500      -2.163900     -0.9359000    
 H   -3.353900      -1.863200      0.7829000    
 H   -7.164200       2.173500      0.8522000    
 H   -7.535300       1.848300     -0.8520000    
 H    3.663600       3.351700      0.4242000    
 H    5.258500       3.477500       1.199900    
 H    5.152100       3.334200     -0.5683000    
 H   -5.120500       1.814600     -0.4479000    
 H   -7.991100     -0.5724000     -0.3110000    
 H   -7.611800     -0.2401000       1.430400    
 H   -8.978400      0.5013000      0.6429000    


%chk=000019713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019713

0 1
S 2.205818 -2.141561 2.224678
S -0.893896 -2.711424 1.762282
S 2.030154 -1.706415 -1.477177
P 2.551113 -0.851543 0.347691
O 4.195505 -0.456350 0.642471
O 1.830818 0.694196 0.692063
O -2.764729 -0.684030 0.114340
O -5.053967 -0.510075 -0.441756
N -3.800382 1.331166 0.326615
C 5.098804 -0.067601 -0.509246
C 6.504815 -0.189052 0.081012
C 4.744628 1.339156 -1.005468
C -1.455890 -2.724853 -0.059324
C 0.877736 -3.310533 1.557092
C -2.852487 -2.133273 -0.187803
C -4.872505 2.334658 0.228895
C 0.350571 0.770295 0.664677
C -3.986982 0.018616 -0.036172
C -4.620403 3.375134 -0.882289
H 4.942920 -0.815247 -1.312971
H 6.634693 0.519943 0.916794
H 6.684216 -1.210522 0.455304
H 7.255945 0.041498 -0.696371
H 4.816575 2.067349 -0.179502
H 3.720147 1.376748 -1.414796
H 5.446389 1.638582 -1.805860
H -1.477528 -3.774645 -0.398136
H -0.721392 -2.160469 -0.656907
H 1.082131 -3.507756 0.489751
H 1.015474 -4.230169 2.144997
H -3.227470 -2.262799 -1.220424
H -3.577656 -2.606069 0.500016
H -5.804781 1.779595 0.029914
H -4.985776 2.840226 1.207440
H -0.099473 0.046802 1.370795
H 0.129127 1.803282 0.974161
H -0.032302 0.578725 -0.353865
H -2.868444 1.606939 0.638521
H -3.683940 3.936763 -0.707174
H -4.550412 2.883160 -1.867879
H -5.450665 4.104055 -0.915591


