%chk=000162776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162776

0 1
 S  -0.7716000       1.155800      0.8532000    
 O   -3.432000      -2.376200     -0.5824000    
 O    1.148100      -2.571600       1.636600    
 O   -4.686200      0.4490000      -2.009600    
 O   -6.059000      0.2445000     -0.1920000    
 O    4.864000       1.238200       1.381100    
 O    4.876700       2.542400     -0.6453000    
 N   -2.954300     -0.2861000      0.3995000    
 N  -0.2871000      -1.753800      9.6000005E-03
 N    2.882600      -3.413700     -0.3417000    
 C   -1.860300     -0.1987000       1.349700    
 C   -1.459700      -1.611700      0.8720000    
 C   -2.805900      -1.593200      9.3000002E-02
 C   -3.753700      0.7610000      7.0299998E-02
 C   -2.080400       2.416700       1.019500    
 C   -3.413000       2.035000      0.3786000    
 C   0.9403000      -2.230600      0.4733000    
 C    2.012100      -2.265500     -0.6107000    
 C   -4.283300       3.241500      0.1202000    
 C   -4.972800      0.4553000     -0.6929000    
 C    2.777300     -0.9592000     -0.6560000    
 C    3.457600     -0.5403000      0.4765000    
 C    2.773200     -0.2176000      -1.837600    
 C    4.139700      0.6557000      0.3871000    
 C    4.146800       1.400400     -0.7701000    
 C    3.472100      0.9902000      -1.901500    
 C    5.328800       2.432500      0.7197000    
 H   -2.200700     -0.1621000       2.391300    
 H   -1.470900      -2.359100       1.675300    
 H  -0.3497000      -1.478800     -0.9680000    
 H   -1.690600       3.325500      0.5487000    
 H   -2.236000       2.631100       2.082400    
 H    1.523800      -2.449400      -1.576100    
 H   -5.265000       2.983700     -0.2864000    
 H   -3.795900       3.913400     -0.5940000    
 H   -4.452400       3.789000       1.053500    
 H    3.469700      -1.112100       1.397200    
 H    3.571900      -3.498700      -1.088400    
 H    2.332700      -4.271900     -0.3710000    
 H    2.232900     -0.5627000      -2.714800    
 H   -5.474500      0.2488000      -2.558100    
 H    3.479800       1.580200      -2.811000    
 H    6.424800       2.434200      0.7277000    
 H    4.971500       3.304900       1.279000    


%chk=000162776-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162776

0 1
S -0.703945 1.147026 1.168544
O -2.587907 -1.474852 -1.948593
O 0.516835 -3.616269 1.106866
O -5.444571 1.759385 -1.561139
O -5.483771 -0.481451 -0.956538
O 4.688038 1.566959 1.066603
O 4.394109 2.582877 -1.092344
N -2.889722 -0.190082 0.112125
N 0.077764 -1.653561 -0.063380
N 3.179169 -3.476463 0.604091
C -1.850880 -0.363069 1.143236
C -1.307978 -1.599569 0.327636
C -2.346632 -1.170900 -0.772415
C -3.722575 0.942319 -0.062178
C -2.159784 2.346742 1.391025
C -3.413922 2.137997 0.549611
C 0.902814 -2.692203 0.330631
C 2.328497 -2.704032 -0.300107
C -4.292792 3.373153 0.528300
C -4.945949 0.644498 -0.869133
C 2.881582 -1.299183 -0.571234
C 3.542417 -0.599297 0.480359
C 2.719718 -0.699363 -1.845416
C 3.997057 0.686079 0.196655
C 3.824502 1.285903 -1.071680
C 3.191306 0.616343 -2.119539
C 4.929194 2.804695 0.279546
H -2.233229 -0.546776 2.158039
H -1.557874 -2.555793 0.819129
H 0.473739 -0.903418 -0.638185
H -1.735111 3.341030 1.162455
H -2.429868 2.347811 2.464265
H 2.173547 -3.192791 -1.296752
H -5.337507 3.151650 0.271817
H -3.919453 4.094329 -0.224851
H -4.259573 3.880218 1.511612
H 3.691535 -1.090851 1.444765
H 4.053735 -3.810690 0.196699
H 2.657822 -4.174918 1.144610
H 2.239212 -1.266261 -2.652267
H -6.240222 1.466440 -2.084014
H 3.074438 1.076285 -3.103746
H 6.015794 2.984275 0.214822
H 4.381840 3.641775 0.747471


