%chk=000027294.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027294

0 1
 S   -4.192000       4.129100      0.1868000    
 O   -3.310700       5.261100     -5.6000002E-02
 O   -5.445700       4.016500     -0.5443000    
 O    6.698200      0.6177000      0.4852000    
 N  -0.8971000     -0.6999000     -0.5947000    
 N   -1.764100      -4.296300     -0.1028000    
 N   0.1445000       1.186900     -5.1800001E-02
 N    1.403100     -0.8772000     -0.4015000    
 C   -1.191000      -2.070800     -0.9424000    
 C   -1.446900      -2.929800      0.2926000    
 C   -1.816200      0.3142000     -0.4534000    
 C   0.2669000     -0.1423000     -0.3469000    
 C   -1.187200       1.508400     -0.1127000    
 C   -1.492300      -5.227300      0.9940000    
 C   -3.163200      -4.400700     -0.5216000    
 C   -3.213500      0.2939000     -0.6003000    
 C   -1.874500       2.704900      9.4499998E-02
 C   -3.264600       2.666400     -5.6000002E-02
 C   -3.924300       1.483400     -0.3971000    
 C   -2.371000      -4.929800       2.197100    
 C   -3.489700      -5.805300     -0.9997000    
 C    2.754600     -0.4956000     -0.1756000    
 C   -4.596200       4.110000       1.918100    
 C    3.758700      -1.463600     -0.1556000    
 C    3.075900      0.8468000      2.6300000E-02
 C    5.084000      -1.089400      6.6299997E-02
 C    4.401100       1.221000      0.2482000    
 C    5.405100      0.2529000      0.2683000    
 C    7.088600       1.918000      4.6200000E-02
 C    8.559400       1.896700     -0.3115000    
 H   -2.054100      -2.047800      -1.615400    
 H  -0.3652000      -2.469400      -1.542600    
 H  -0.5316000      -2.908000      0.8998000    
 H   -2.236300      -2.476500      0.9064000    
 H   -1.600600      -6.272000      0.6843000    
 H  -0.4383000      -5.141000       1.289100    
 H   -3.883200      -4.074800      0.2375000    
 H   -3.331300      -3.745200      -1.383800    
 H   -3.744000     -0.6173000     -0.8586000    
 H   -1.342700       3.609700      0.3650000    
 H   -5.005900       1.458800     -0.5044000    
 H    1.335200      -1.875300     -0.5854000    
 H   -2.070400      -5.591400       3.018800    
 H   -3.430500      -5.135600       2.021700    
 H   -2.263500      -3.910300       2.577800    
 H   -4.453400      -5.799500      -1.521500    
 H   -3.584300      -6.519200     -0.1761000    
 H   -2.740300      -6.177200      -1.707100    
 H   -3.671700       4.112500       2.498700    
 H   -5.189000       3.219500       2.135300    
 H   -5.177300       5.007500       2.140300    
 H    3.523000      -2.513300     -0.3110000    
 H    2.349600       1.648000      1.1700000E-02
 H    5.861900      -1.847800      8.0899999E-02
 H    4.605900       2.272800      0.4250000    
 H    6.913900       2.637900      0.8533000    
 H    6.537100       2.229000     -0.8499000    
 H    9.161300       1.589800      0.5504000    
 H    8.752200       1.170800      -1.108400    
 H    8.896300       2.882900     -0.6431000    


%chk=000027294-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027294

0 1
S -4.292516 4.448147 0.059589
O -3.261530 5.661219 -0.323028
O -5.766783 4.298923 -0.640591
O 6.718113 0.372526 0.015748
N -1.185745 -0.625662 -0.750463
N -1.801666 -4.300803 0.020199
N 0.035828 1.275423 -0.273172
N 1.223306 -0.829978 -0.639837
C -1.489628 -2.042399 -0.989107
C -1.554058 -2.875780 0.321990
C -2.120501 0.410407 -0.579402
C 0.093397 -0.045838 -0.545712
C -1.337066 1.584923 -0.290708
C -1.056794 -5.248686 0.890677
C -3.243486 -4.612675 -0.173096
C -3.524731 0.431574 -0.673851
C -1.979934 2.823041 -0.084632
C -3.382210 2.806347 -0.167134
C -4.169293 1.672160 -0.461846
C -1.499052 -5.310799 2.377315
C -3.487390 -5.974052 -0.849536
C 2.584368 -0.441225 -0.463064
C -4.600445 4.575281 1.947745
C 3.576500 -1.448316 -0.620681
C 2.980900 0.878966 -0.138906
C 4.936689 -1.144273 -0.455711
C 4.350127 1.182702 0.028173
C 5.334547 0.176516 -0.127894
C 7.184294 1.731773 0.353445
C 8.706338 1.666944 0.446238
H -2.450867 -2.101137 -1.528005
H -0.737992 -2.491300 -1.665703
H -0.586021 -2.782689 0.849832
H -2.324295 -2.426924 0.993148
H -1.130289 -6.256224 0.442459
H 0.013423 -4.969098 0.840837
H -3.811526 -4.565721 0.789071
H -3.669427 -3.821879 -0.820001
H -4.110586 -0.462747 -0.908862
H -1.422620 3.747860 0.090745
H -5.254889 1.776801 -0.557651
H 1.080329 -1.807676 -0.895584
H -0.857165 -6.018223 2.934175
H -2.543828 -5.655522 2.480716
H -1.414152 -4.322795 2.866464
H -4.560975 -6.094451 -1.082495
H -3.193588 -6.819458 -0.202265
H -2.913787 -6.042491 -1.790561
H -3.615342 4.577679 2.433844
H -5.215607 3.710544 2.231477
H -5.133020 5.527266 2.081257
H 3.284608 -2.475797 -0.875937
H 2.215847 1.650058 -0.024740
H 5.706979 -1.911668 -0.576436
H 4.628193 2.210900 0.277261
H 6.734874 2.046850 1.317991
H 6.858473 2.440497 -0.435842
H 9.018806 0.952152 1.226527
H 9.141379 1.343691 -0.514802
H 9.114190 2.662616 0.698733


