%chk=000004415.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004415

0 1
 S    2.691100      -2.475900     -0.4795000    
 O    2.665400       1.654900      -1.986200    
 O    4.221400       1.514200       1.380100    
 O  -0.4239000       1.626400      -1.650500    
 O    6.230400      0.5051000       1.004200    
 O   -1.826000       2.450500     -0.1034000    
 N    2.843900      9.9799998E-02 -0.2198000    
 N   -1.189000     -0.2191000     -0.4324000    
 C    1.798000     -0.9222000     -0.1139000    
 C    4.254400      -1.794300      0.2667000    
 C    4.237200     -0.3015000     -0.1311000    
 C    1.096900     -0.2357000      -1.293900    
 C    2.281400      0.7502000      -1.280100    
 C    4.198300      -2.038400       1.781800    
 C    5.455200      -2.525000     -0.3376000    
 C  -0.2517000      0.5091000      -1.155800    
 C    5.029200      0.5940000      0.7987000    
 C   -2.517900      0.1495000     -0.1122000    
 C   -3.509200     -0.8238000      4.0199999E-02
 C   -2.794200       1.501600      4.4000000E-02
 C   -4.824800     -0.4128000      0.3612000    
 C   -4.087900       1.905700      0.3598000    
 C   -3.236200      -2.192500     -0.1165000    
 C   -5.097600      0.9559000      0.5176000    
 C   -5.828600      -1.382700      0.5167000    
 C   -4.245700      -3.142500      4.1700002E-02
 C   -5.539300      -2.738300      0.3578000    
 C   -1.541300       3.281800       1.002500    
 C  -8.9500003E-02   3.706100      0.9398000    
 H    1.284600     -0.8884000      0.8514000    
 H    4.667100     -0.1574000      -1.132100    
 H    1.095600     -0.8322000      -2.218100    
 H    3.375700      -1.495000       2.260100    
 H    4.075300      -3.103700       2.011700    
 H    5.126200      -1.718000       2.268500    
 H    5.428200      -3.598100     -0.1147000    
 H    5.496400      -2.409700      -1.427000    
 H    6.394900      -2.132600      6.7000002E-02
 H  -0.9267000      -1.178000     -0.2292000    
 H    4.715900       2.103600       1.988700    
 H   -4.330200       2.958300      0.4788000    
 H   -2.252500      -2.572300     -0.3750000    
 H   -6.102100       1.294700      0.7627000    
 H   -6.847000      -1.089600      0.7635000    
 H   -4.022700      -4.198000     -8.4799998E-02
 H   -6.324800      -3.478300      0.4801000    
 H   -1.721200       2.758600       1.949900    
 H   -2.186200       4.166600      0.9635000    
 H   0.1592000       4.371800       1.770900    
 H   0.1226000       4.222600     -2.2000000E-03
 H   0.5702000       2.832900      0.9798000    


%chk=000004415-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004415

0 1
S 4.081902 -0.192591 1.702993
O 0.904759 -2.650647 -0.401700
O 3.538984 -0.418607 -2.970208
O -0.082344 1.557735 1.047482
O 5.195570 -2.042150 -2.835009
O -2.321503 0.848077 2.755868
N 2.645122 -0.941860 -0.416423
N -1.190312 -0.484486 0.639546
C 2.538592 0.107930 0.641493
C 5.042349 -0.673906 0.075460
C 3.958515 -1.454757 -0.799389
C 1.192561 -0.537710 1.092188
C 1.474096 -1.611203 -0.006903
C 5.528390 0.624860 -0.603494
C 6.215237 -1.597588 0.443378
C -0.081994 0.302058 0.927819
C 4.301035 -1.360016 -2.287275
C -2.531671 0.002241 0.534839
C -3.301471 -0.272226 -0.648202
C -3.100415 0.721939 1.606581
C -4.666820 0.209799 -0.726824
C -4.433093 1.235614 1.498123
C -2.765380 -1.000209 -1.764865
C -5.195101 0.975568 0.360590
C -5.445799 -0.076243 -1.895345
C -3.551709 -1.261613 -2.889641
C -4.905733 -0.803621 -2.957498
C -2.689088 1.880094 3.749349
C -1.525466 1.965937 4.732999
H 2.484148 1.146662 0.290688
H 4.018722 -2.530456 -0.545670
H 1.236574 -0.975030 2.104716
H 4.689965 1.279275 -0.896908
H 6.175327 1.184627 0.091926
H 6.121167 0.391977 -1.509203
H 6.964347 -1.056066 1.046983
H 5.873073 -2.475859 1.017839
H 6.709801 -1.954110 -0.479319
H -1.016637 -1.475832 0.430564
H 3.816097 -0.402669 -3.927218
H -4.863895 1.809907 2.323283
H -1.725376 -1.342752 -1.742205
H -6.220868 1.356011 0.292033
H -6.478452 0.290329 -1.941316
H -3.126712 -1.818011 -3.732324
H -5.509083 -1.019116 -3.845831
H -3.628768 1.584229 4.260045
H -2.848097 2.844767 3.228304
H -1.737766 2.724930 5.508102
H -0.601260 2.247998 4.201578
H -1.363020 0.994675 5.231400


