%chk=000063636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063636

0 1
 S   3.6699999E-02   2.356400      0.8515000    
 O   0.1446000     -9.1899998E-02 -1.1400000E-02
 O   -4.187500       1.793900     -0.2463000    
 O    7.061000     -0.2006000      0.9818000    
 O    7.025700     -0.3453000      -1.208400    
 N   -1.998700      0.9334000     -8.2900003E-02
 N   -1.682200      -1.416700      0.1570000    
 N   -1.909100       3.334100     -0.5417000    
 N    6.443800     -0.3747000     -9.6900001E-02
 C   -3.950500     -0.5190000     -8.7600000E-02
 C   -3.071500      -1.589500      0.1013000    
 C   -1.208700     -0.2168000      4.7699999E-02
 C   -3.400600      0.8539000     -0.1708000    
 C   0.8258000      -1.329800      5.8499999E-02
 C    2.304400      -1.078100      1.7100001E-02
 C   -5.331700     -0.7350000     -0.1655000    
 C   -1.435100       2.229300     -1.7700000E-02
 C   -3.594800      -2.883300      0.2106000    
 C   -5.837900      -2.029400     -5.5900000E-02
 C   -4.970800      -3.102800      0.1337000    
 C    3.002400     -0.8834000       1.203600    
 C    2.963000      -1.042100      -1.206900    
 C    5.044700     -0.6124000     -5.8600001E-02
 C    4.377100     -0.6498000       1.165500    
 C    4.337600     -0.8086000      -1.244900    
 C   6.1299998E-02   4.036300      0.5067000    
 C   -1.048900       4.371800     -0.2395000    
 H   0.5519000      -1.975000     -0.7874000    
 H   0.5865000      -1.860200      0.9904000    
 H   -6.026300      8.8200003E-02 -0.3080000    
 H   -2.929600      -3.731900      0.3530000    
 H   -6.908700      -2.200400     -0.1159000    
 H    2.491800     -0.9076000       2.162300    
 H    2.421300      -1.191000      -2.137000    
 H   -5.365000      -4.111200      0.2193000    
 H    4.895000     -0.5005000       2.109500    
 H    4.824300     -0.7856000      -2.216500    
 H   0.8588000       4.676800      0.8548000    
 H   -1.279900       5.367600     -0.5925000    


%chk=000063636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063636

0 1
S -1.442546 3.352836 1.197226
O 0.041702 -0.183818 0.616914
O -4.009272 1.877864 -0.417810
O 7.303222 -0.805527 -0.051184
O 6.563110 0.790709 -1.502744
N -1.976019 0.804603 0.082842
N -1.845631 -1.581468 0.453644
N -0.436238 2.312417 -1.045014
N 6.360145 -0.132786 -0.623028
C -4.028728 -0.535987 -0.084757
C -3.227944 -1.686440 0.207955
C -1.296142 -0.392872 0.385043
C -3.412534 0.801030 -0.162498
C 0.885559 -1.384796 0.831724
C 2.308038 -1.015336 0.469789
C -5.421857 -0.676669 -0.316499
C -1.263355 2.029345 -0.055046
C -3.842602 -2.965427 0.261684
C -6.018322 -1.946979 -0.260695
C -5.223133 -3.091064 0.028576
C 3.380890 -1.718462 1.075351
C 2.581187 -0.013308 -0.496548
C 4.958420 -0.440063 -0.246106
C 4.714162 -1.440131 0.720054
C 3.909851 0.280443 -0.858373
C -0.283818 4.300229 0.220818
C 0.119735 3.587365 -0.897396
H 0.490757 -2.203415 0.200481
H 0.792172 -1.696593 1.887579
H -6.003681 0.223567 -0.539521
H -3.216618 -3.833679 0.487440
H -7.092366 -2.058657 -0.440061
H 3.175235 -2.485375 1.831154
H 1.750573 0.540118 -0.945451
H -5.691266 -4.080592 0.070642
H 5.556719 -1.967788 1.174049
H 4.147651 1.048586 -1.598760
H -0.001305 5.305682 0.524919
H 0.814449 3.951539 -1.654392


