%chk=000053507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053507

0 1
 S    3.707900      9.7499996E-02  -1.091300    
 O   0.1855000      0.9574000       1.893800    
 O    7.189200     -0.3327000      0.5513000    
 O    6.541300     -0.4054000      -1.549400    
 N   -3.192600     -1.5000000E-02  7.0699997E-02
 N   -1.001600      0.9280000     -0.1146000    
 N    1.243700      0.5757000     -0.2243000    
 N    3.073700      0.4144000       1.394600    
 N    6.278200     -0.2572000     -0.3218000    
 C   -2.344100       1.140900      0.3822000    
 C   -4.548300      0.1529000      0.5836000    
 C   -2.594100      -1.232800      0.6280000    
 C  -0.7449000      0.6408000      -1.502800    
 C   -5.257100       1.377800     -1.9300001E-02
 C   -3.351000      -2.504500      0.2083000    
 C   0.7679000      0.6331000      -1.599200    
 C   0.1637000      0.8290000      0.6763000    
 C   -6.678300       1.558800      0.5204000    
 C   -5.298200       1.252000      -1.544700    
 C   -2.731000      -3.776700      0.7921000    
 C   -3.386900      -2.603900      -1.319100    
 C    2.582600      0.3907000      0.1730000    
 C    4.959900     -7.1000000E-03  7.5999998E-02
 C    4.434600      0.1861000       1.336400    
 H   -2.306400       1.337800       1.460100    
 H   -2.688900       2.047900     -0.1218000    
 H   -4.543100      0.2430000       1.678300    
 H   -5.183700     -0.7032000      0.3395000    
 H   -2.562100      -1.177600       1.725100    
 H   -1.558400      -1.374500      0.3009000    
 H   -1.157900     -0.3372000      -1.765200    
 H   -1.195200       1.406200      -2.141900    
 H   -4.722800       2.297600      0.2425000    
 H   -4.378900      -2.493700      0.5834000    
 H    1.133200       1.560200      -2.055300    
 H    1.110000     -0.2280000      -2.181600    
 H   -7.307400      0.6956000      0.2783000    
 H   -7.148100       2.451700      9.4599999E-02
 H   -6.664800       1.672900       1.609400    
 H   -5.810200      0.3345000      -1.855300    
 H   -5.836900       2.098300      -1.985300    
 H   -4.295900       1.248500      -1.984200    
 H   -1.699500      -3.908700      0.4482000    
 H   -3.303300      -4.662700      0.4973000    
 H   -2.719700      -3.732400       1.886100    
 H   -2.376300      -2.621100      -1.741400    
 H   -3.892000      -3.524700      -1.631700    
 H   -3.933300      -1.771100      -1.772400    
 H    4.998600      0.1724000       2.260100    


%chk=000053507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053507

0 1
S 3.491329 0.742740 -1.522344
O 0.281448 0.121241 2.084988
O 6.992573 -0.833572 -0.358417
O 6.360260 0.312662 -2.252282
N -3.250508 -0.019873 0.648325
N -1.090739 1.115266 0.423162
N 1.062346 0.683862 -0.141171
N 2.971476 -0.374816 0.903912
N 6.115331 -0.214291 -1.087887
C -2.366291 1.046802 1.153016
C -4.692261 0.345563 0.654612
C -2.956256 -1.359448 1.235274
C -1.028411 1.435429 -1.010977
C -5.120279 1.270383 -0.515888
C -3.209667 -2.542672 0.265899
C 0.492818 1.378041 -1.321287
C 0.085477 0.580763 0.940197
C -6.556495 1.792898 -0.277191
C -5.006341 0.543917 -1.874347
C -3.116796 -3.879425 1.039169
C -2.222509 -2.516034 -0.921591
C 2.376353 0.299526 -0.083883
C 4.784826 -0.101297 -0.575521
C 4.306827 -0.595478 0.636678
H -2.093069 0.917101 2.222262
H -2.881619 2.017730 1.039468
H -4.986386 0.821406 1.623000
H -5.274572 -0.592444 0.582117
H -3.551499 -1.516918 2.167389
H -1.891802 -1.376942 1.537400
H -1.604788 0.693247 -1.592975
H -1.447540 2.437257 -1.212373
H -4.437539 2.147704 -0.533682
H -4.239665 -2.447728 -0.138557
H 0.933657 2.388646 -1.414572
H 0.706906 0.812740 -2.245045
H -7.275602 0.952698 -0.223769
H -6.878426 2.455902 -1.100790
H -6.631087 2.362769 0.668200
H -5.749129 -0.274912 -1.940513
H -5.192148 1.235308 -2.716965
H -4.002119 0.100070 -1.995603
H -2.111053 -4.006280 1.483874
H -3.297249 -4.738169 0.367104
H -3.857711 -3.927396 1.859458
H -1.183963 -2.668503 -0.567954
H -2.452388 -3.313947 -1.651542
H -2.273830 -1.543815 -1.444150
H 4.925207 -1.136208 1.353671


