%chk=000156405.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156405

0 1
 S    3.652800      -1.625900      0.4186000    
 O    4.048800      -2.920500     -0.1230000    
 O    3.942900      -1.331200       1.816600    
 O   -2.807900      0.5555000       1.164300    
 O   -7.709600       1.279700      0.6330000    
 O   -7.186700     -0.2485000     -0.9662000    
 N   -2.175100     -0.9949000     -0.4851000    
 N    4.329900     -0.3977000     -0.5820000    
 N    3.144300       1.432200      -1.482200    
 N    4.108100       1.554700      0.7231000    
 C    1.937400      -1.440000      0.1525000    
 C  -0.7847000      -1.145200     -0.2697000    
 C    1.310100      -2.147000     -0.8734000    
 C    1.194100     -0.5844000      0.9657000    
 C  -6.0600001E-02  -1.998600      -1.086100    
 C  -0.1765000     -0.4358000      0.7528000    
 C   -4.476700     -0.3045000     -0.3137000    
 C   -3.059700     -0.1921000      0.2237000    
 C   -5.433700      0.5815000      0.4739000    
 C    3.831100      0.9436000     -0.4385000    
 C   -6.847200      0.4805000     -4.3400001E-02
 C    2.690800       2.691700      -1.313600    
 C    3.625100       2.810400      0.8240000    
 C    2.902900       3.436400     -0.1714000    
 H    1.870000      -2.812900      -1.523900    
 H    1.662200     -2.3900000E-02   1.770100    
 H  -0.5392000      -2.552500      -1.888800    
 H  -0.6823000      0.2432000       1.423200    
 H   -4.472600     -1.6799999E-02  -1.371900    
 H   -4.789600      -1.353900     -0.2532000    
 H   -2.557100      -1.547100      -1.250100    
 H    4.473100     -0.6679000      -1.563800    
 H   -5.121200       1.629600      0.4023000    
 H   -5.438000      0.2875000       1.529800    
 H    2.132700       3.099100      -2.149800    
 H    3.841000       3.316300       1.759000    
 H    2.526800       4.444700     -6.3000001E-02
 H   -8.625700       1.202000      0.2910000    


%chk=000156405-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156405

0 1
S 3.455322 -1.453302 0.332715
O 3.914721 -2.863485 -0.335631
O 3.876649 -1.060542 1.843351
O -3.242657 0.604008 1.123365
O -8.347827 0.332235 1.093204
O -7.567245 0.393177 -1.092224
N -2.568837 -1.101226 -0.344040
N 4.180199 -0.260884 -0.893811
N 5.206120 1.759258 -1.454756
N 3.372415 1.688512 0.175495
C 1.601233 -1.276758 0.119528
C -1.161643 -1.121581 -0.154231
C 0.978794 -2.148253 -0.789394
C 0.905997 -0.340835 0.899022
C -0.418145 -2.062044 -0.922705
C -0.494481 -0.261062 0.762554
C -4.950387 -0.501052 -0.257927
C -3.523634 -0.274756 0.257852
C -5.995624 -0.040089 0.771111
C 4.256262 1.111059 -0.701066
C -7.338024 0.238036 0.128686
C 5.249178 3.113354 -1.315566
C 3.467428 3.041636 0.302299
C 4.395859 3.815013 -0.431653
H 1.567751 -2.878390 -1.352678
H 1.448965 0.313958 1.585408
H -0.933333 -2.730153 -1.623569
H -1.075398 0.451810 1.349036
H -5.087108 0.087417 -1.187363
H -5.111796 -1.560275 -0.534474
H -2.929652 -1.774819 -1.024751
H 4.900913 -0.707683 -1.474916
H -5.636098 0.891095 1.252759
H -6.127746 -0.768293 1.589815
H 5.997236 3.632910 -1.924309
H 2.772323 3.506477 1.009999
H 4.453089 4.899628 -0.318302
H -9.210816 0.553199 0.647965


