%chk=000150474.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150474

0 1
 S    4.630200      -3.454200      0.2566000    
 S   -6.020000      -1.676000      0.7904000    
 O   -2.539900      0.8200000      -2.711800    
 O    5.522100      -3.138900       1.363200    
 O    3.849000      -4.683100      0.2853000    
 O   -7.407100      -1.658500       1.216100    
 O   -5.661300      -2.144500     -0.5334000    
 N  -0.2696000       1.030300      -1.063100    
 N    3.494100       1.492200      0.7226000    
 N   -5.335800     -0.1264000       1.101600    
 C    1.006900       1.186800     -0.4578000    
 C    1.841400      7.5499997E-02 -0.3020000    
 C    1.417300       2.451100     -2.2700001E-02
 C    3.094100      0.2767000      0.3019000    
 C    2.686500       2.559400      0.5702000    
 C    3.548200      -2.101300      3.5900000E-02
 C    3.929400     -0.8260000      0.4601000    
 C    1.454600      -1.206600     -0.7299000    
 C   -1.535000      0.7430000     -0.5346000    
 C    2.308300      -2.292500     -0.5602000    
 C   0.5990000       3.585100     -0.1666000    
 C    3.100700       3.815400       1.005400    
 C   -2.657500      0.6414000      -1.365800    
 C   -1.686100      0.5537000      0.8446000    
 C    1.036700       4.829500      0.2769000    
 C   -4.052600      0.1677000      0.5490000    
 C    2.290200       4.944500      0.8641000    
 C   -3.911400      0.3548000     -0.8261000    
 C   -2.940000      0.2671000       1.384300    
 C    5.600000      -3.491300      -1.233800    
 C   -5.128500      -2.657000       1.976800    
 C   -2.263700     -0.3379000      -3.496900    
 H  -0.2513000       1.188300      -2.066200    
 H    4.904500     -0.6761000      0.9204000    
 H   0.4945000      -1.390000      -1.205100    
 H    1.990000      -3.271700     -0.9053000    
 H  -0.3847000       3.531600     -0.6257000    
 H    4.078900       3.931500       1.468700    
 H  -0.8382000      0.6242000       1.521100    
 H   0.4034000       5.704100      0.1637000    
 H   -4.776000      0.2921000      -1.482700    
 H    2.641500       5.911100       1.213400    
 H   -3.038100      0.1217000       2.457000    
 H    4.935900      -3.645700      -2.086400    
 H    6.141400      -2.548100      -1.328700    
 H    6.307000      -4.320200      -1.157500    
 H   -5.467300      0.2242000       2.060000    
 H   -5.289600      -2.243300       2.974000    
 H   -5.521400      -3.675300       1.932500    
 H   -4.068500      -2.662100       1.718100    
 H   -3.085100      -1.057200      -3.418000    
 H   -1.324900     -0.8060000      -3.185100    
 H   -2.169300     -2.8700000E-02  -4.541400    


%chk=000150474-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150474

0 1
S 4.373348 -3.410545 1.249989
S -5.765287 -2.531719 0.411364
O -2.620880 1.414729 -2.200451
O 5.452634 -2.881342 2.358060
O 3.302036 -4.608912 1.567515
O -7.069393 -3.041642 1.236376
O -5.860285 -2.086700 -1.153510
N -0.360887 1.333958 -0.879998
N 3.754265 1.697322 0.338472
N -5.048998 -0.872379 1.401775
C 0.981858 1.419293 -0.455799
C 1.751389 0.264777 -0.093131
C 1.619400 2.704969 -0.459384
C 3.132651 0.478995 0.336620
C 3.025313 2.782534 -0.076326
C 3.358114 -1.916948 0.656516
C 3.916699 -0.658515 0.750859
C 1.253158 -1.082461 -0.186371
C -1.453081 0.713524 -0.251238
C 2.037905 -2.171040 0.182956
C 0.930775 3.922420 -0.793998
C 3.687894 4.058888 -0.105422
C -2.704586 0.765454 -0.957552
C -1.426850 0.114777 1.035021
C 1.603700 5.142638 -0.805963
C -3.830818 -0.389354 0.879781
C 2.998668 5.210825 -0.471558
C -3.875146 0.239821 -0.402980
C -2.588591 -0.463129 1.577416
C 5.375967 -3.955172 -0.290087
C -4.436597 -3.937333 0.482223
C -3.852005 1.518457 -2.997131
H -0.636552 1.908638 -1.683997
H 4.925235 -0.486130 1.139422
H 0.241935 -1.255752 -0.562619
H 1.661912 -3.198484 0.145734
H -0.142123 3.899983 -1.014073
H 4.744395 4.076755 0.177978
H -0.495257 0.098653 1.606627
H 1.063517 6.061816 -1.056669
H -4.837196 0.288987 -0.916905
H 3.511477 6.178364 -0.489198
H -2.544470 -0.940958 2.563502
H 4.649749 -4.206561 -1.075102
H 6.028034 -3.114030 -0.561833
H 5.946309 -4.833005 0.044472
H -4.974713 -1.218103 2.379865
H -4.390482 -4.273332 1.527071
H -4.813144 -4.718452 -0.192813
H -3.494631 -3.497690 0.126500
H -4.610733 2.126075 -2.469761
H -4.261250 0.515110 -3.215057
H -3.551481 2.016326 -3.930086


