%chk=000163064.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163064

0 1
 S   -3.239100      0.1699000     -0.5997000    
 O   -3.984300       1.386500     -0.8642000    
 O   -2.381800     -0.4051000      -1.617400    
 O    3.189400      0.2120000      0.7588000    
 O    3.074400     -0.5456000      -1.436400    
 N   -2.390300      0.3682000      0.8832000    
 N    5.123000     -0.2260000     -0.3956000    
 C  -0.9590000      0.3281000      0.8511000    
 C  -0.2852000     -0.8332000       1.228900    
 C  -0.2389000       1.450600      0.4420000    
 C   -4.424300      -1.067600     -0.1216000    
 C    1.108700     -0.8722000       1.197700    
 C    1.155100       1.411600      0.4106000    
 C    1.829000      0.2502000      0.7885000    
 C   -1.030300      -2.050700       1.670500    
 C  -0.9339000       2.707900      3.1700000E-02
 C   -5.330400      -1.441900      -1.273100    
 C    3.744900     -0.2203000     -0.4610000    
 C    5.972900     -0.6224000      -1.494000    
 H   -2.765500       1.092700       1.509600    
 H   -3.869600      -1.945600      0.2207000    
 H   -5.010200     -0.6634000      0.7093000    
 H    1.643300      -1.773100       1.489200    
 H    1.725400       2.280900      9.1899998E-02
 H   -1.513400      -2.529200      0.8129000    
 H  -0.3639000      -2.787600       2.132200    
 H   -1.788100      -1.797300       2.419400    
 H  -0.2393000       3.555100     -6.0000003E-04
 H   -1.364400       2.597300     -0.9681000    
 H   -1.720400       2.981700      0.7421000    
 H   -6.052000      -2.201700     -0.9579000    
 H   -5.888200     -0.5731000      -1.637000    
 H   -4.756900      -1.845800      -2.113600    
 H    5.563600      6.4000003E-02  0.4720000    
 H    6.629400      0.2165000      -1.737100    
 H    5.386000     -0.9010000      -2.372300    
 H    6.577900      -1.471700      -1.167600    


%chk=000163064-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163064

0 1
S -3.579454 0.129183 -0.561429
O -4.468171 1.483465 -0.831225
O -2.750795 -0.570704 -1.784683
O 3.200786 0.541028 -0.176496
O 3.902817 -1.739961 0.044498
N -2.294925 0.387715 1.076570
N 5.341387 -0.000740 -0.610172
C -0.931861 0.418873 0.701204
C -0.231914 -0.829826 0.594274
C -0.239360 1.661494 0.465749
C -4.778251 -1.203243 0.174856
C 1.151368 -0.834521 0.312768
C 1.138175 1.629811 0.199470
C 1.824769 0.393516 0.125517
C -0.967380 -2.140465 0.767442
C -0.987705 2.981882 0.494582
C -5.841537 -1.547470 -0.864219
C 4.139638 -0.539569 -0.223602
C 6.548133 -0.818659 -0.758865
H -2.636463 1.336428 1.337788
H -4.102003 -2.032278 0.432646
H -5.171057 -0.719026 1.082541
H 1.697582 -1.776202 0.248217
H 1.698739 2.553450 0.026890
H -1.518744 -2.385592 -0.161524
H -0.268456 -2.966796 0.977762
H -1.705708 -2.068844 1.585129
H -0.318373 3.815861 0.228181
H -1.832754 2.986035 -0.220014
H -1.402628 3.206181 1.497664
H -6.532248 -2.299970 -0.440025
H -6.430653 -0.656866 -1.142553
H -5.387867 -1.972000 -1.776086
H 5.367254 1.002068 -0.796256
H 6.927822 -0.784360 -1.796358
H 6.287461 -1.859935 -0.512864
H 7.345976 -0.481266 -0.072276


