%chk=000004365.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004365

0 1
 S   0.9479000       3.817400     -0.6058000    
 O    1.374000      -1.087300       1.679900    
 O   0.6320000      -3.755100     -0.5186000    
 O   -1.378200      -4.243200      0.3932000    
 O    5.337700     -2.8300000E-02 -0.8022000    
 N   0.3178000      -1.161100     -0.3845000    
 N    3.551900      0.1327000      0.6995000    
 C    2.462100     -5.1899999E-02 -0.2237000    
 C  -0.8399000      -1.911200      4.2800002E-02
 C    1.994000       1.277300     -0.8319000    
 C   -2.065500      -1.573500     -0.8164000    
 C    1.341200     -0.8077000      0.4832000    
 C   -2.708300     -0.2616000     -0.4356000    
 C    1.466900       2.274300      0.2028000    
 C  -0.5709000      -3.408200     -1.3000000E-03
 C   -3.716200     -0.2327000      0.5285000    
 C   -2.294300      0.9217000      -1.047300    
 C   -4.310100      0.9793000      0.8805000    
 C   -2.888200       2.133700     -0.6951000    
 C    4.878700      0.1267000      0.3221000    
 C   -3.896100       2.162400      0.2688000    
 C   0.3637000       4.696300      0.8611000    
 H    2.821400     -0.6940000      -1.038700    
 H   -1.024900      -1.672100       1.097900    
 H    2.840100       1.729400      -1.367300    
 H    1.217800       1.086300      -1.583200    
 H   -1.800100      -1.557800      -1.882400    
 H   -2.826100      -2.361000     -0.7274000    
 H   0.4272000     -0.9797000      -1.377900    
 H    2.243600       2.513100      0.9359000    
 H   0.6060000       1.854000      0.7320000    
 H    3.334500      0.2919000       1.679400    
 H   -4.045600      -1.147400       1.014100    
 H   -1.510900      0.9132000      -1.800300    
 H   -5.094300       1.002000       1.631700    
 H   -2.566400       3.055200      -1.171400    
 H    5.529900      0.2898000       1.196600    
 H   -4.358000       3.106300      0.5432000    
 H   0.7597000      -4.727600     -0.5298000    
 H   1.3000000E-03   5.685200      0.5680000    
 H    1.177700       4.823700       1.579400    
 H  -0.4594000       4.150400       1.329700    


%chk=000004365-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004365

0 1
S 0.858709 3.780031 -1.024190
O 0.809371 -0.822368 1.745344
O 0.281711 -3.869887 -1.558808
O -1.373898 -4.635998 -0.114809
O 5.171928 0.537082 -0.047841
N 0.373668 -1.446170 -0.458723
N 3.204900 0.216195 1.167889
C 2.366884 -0.063210 -0.003768
C -0.821135 -2.229742 -0.141212
C 1.994543 1.229861 -0.800155
C -2.125371 -1.662004 -0.807156
C 1.118486 -0.811026 0.511527
C -2.486938 -0.274368 -0.303258
C 1.210984 2.250300 0.038427
C -0.680232 -3.696948 -0.552158
C -3.026164 -0.103187 0.998559
C -2.296562 0.869799 -1.116717
C -3.372641 1.180221 1.472041
C -2.639888 2.158632 -0.646536
C 4.550742 0.473340 1.053610
C -3.181106 2.316478 0.649722
C 0.067963 4.850761 0.306303
H 2.941684 -0.713550 -0.693946
H -0.938444 -2.199811 0.956764
H 2.941208 1.673536 -1.157873
H 1.403607 0.944348 -1.693025
H -1.984627 -1.651235 -1.904674
H -2.937445 -2.379503 -0.584377
H 0.732492 -1.494288 -1.414636
H 1.802169 2.574356 0.912154
H 0.242187 1.845775 0.379156
H 2.742883 0.103836 2.079277
H -3.181252 -0.978139 1.642611
H -1.881833 0.756622 -2.125900
H -3.792302 1.295502 2.477577
H -2.472766 3.030095 -1.288264
H 5.045908 0.619316 2.040154
H -3.459036 3.312141 1.014105
H 0.319406 -4.827491 -1.827036
H -0.236473 5.790786 -0.180027
H 0.796411 5.067839 1.104100
H -0.816032 4.342975 0.725270


