%chk=000030338.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030338

0 1
 S    3.536600      0.5466000     -0.4822000    
 O    4.060500     -0.2310000      -1.596100    
 O    3.738600       1.988800     -0.4496000    
 O   -2.702700      -1.769900      4.3800000E-02
 N   -3.149400      0.5045000      1.5200000E-02
 C   -4.590300      0.3908000      0.1494000    
 C    4.234200     -0.1081000       1.017200    
 C    1.828600      0.2112000     -0.3483000    
 C   -5.200600       1.792300      0.2653000    
 C   -5.153800     -0.3199000      -1.085700    
 C   -4.919700     -0.4184000       1.409100    
 C    5.732500      0.1535000       1.059600    
 C    3.925500      -1.593100       1.137700    
 C  -0.8704000     -0.3181000     -0.1393000    
 C   -2.324000     -0.6037000     -2.6000001E-02
 C    1.313100     -0.9889000     -0.8379000    
 C   0.9790000       1.143700      0.2472000    
 C  -5.1800001E-02  -1.256500     -0.7323000    
 C  -0.3858000      0.8760000      0.3529000    
 H    3.762600      0.4314000       1.846800    
 H   -2.771000       1.432200     -0.1455000    
 H   -4.971500       2.397900     -0.6193000    
 H   -6.290500       1.747500      0.3678000    
 H   -4.801800       2.325500       1.136200    
 H   -4.808100      -1.354100      -1.178600    
 H   -4.866500      0.2030000      -2.005600    
 H   -6.249000     -0.3515000      -1.050700    
 H   -4.403600     -1.2000000E-02   2.286900    
 H   -5.996100     -0.3863000       1.616700    
 H   -4.655600      -1.476700       1.330300    
 H    6.165400     -0.2144000       1.995800    
 H    6.249400     -0.3418000      0.2305000    
 H    5.949400       1.224700      0.9913000    
 H    4.442600      -2.019800       2.004600    
 H    4.245700      -2.155000      0.2542000    
 H    2.859400      -1.777300       1.294100    
 H    1.954700      -1.730800      -1.304900    
 H    1.362100       2.078200      0.6476000    
 H  -0.4388000      -2.193200      -1.122300    
 H   -1.006500       1.610600      0.8552000    


%chk=000030338-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030338

0 1
S 3.638035 0.455965 -0.508751
O 4.161633 -0.451128 -1.771436
O 3.840175 2.084365 -0.463416
O -2.853898 -1.827882 0.009657
N -3.292290 0.472246 0.026836
C -4.786931 0.409327 0.142056
C 4.487345 -0.275452 1.153838
C 1.778025 0.128391 -0.322327
C -5.281866 1.875167 0.175397
C -5.378639 -0.329909 -1.087396
C -5.178278 -0.317025 1.454714
C 5.878396 0.353340 1.204540
C 4.436786 -1.796160 1.052705
C -0.969311 -0.305229 -0.116473
C -2.448537 -0.620690 -0.016925
C 1.247665 -1.053729 -0.866504
C 0.996745 1.109108 0.309061
C -0.140848 -1.270083 -0.745395
C -0.393697 0.880840 0.411162
H 3.810384 0.138011 1.922609
H -2.887150 1.396464 -0.136566
H -5.003505 2.415815 -0.749613
H -6.381936 1.896965 0.256998
H -4.867033 2.418669 1.045228
H -4.988053 -1.359128 -1.138074
H -5.117930 0.195870 -2.023985
H -6.479977 -0.371715 -1.005776
H -4.768078 0.213960 2.332733
H -6.278825 -0.349321 1.548831
H -4.793745 -1.349568 1.452610
H 6.350779 0.108962 2.174599
H 6.521444 -0.040338 0.397909
H 5.822846 1.451472 1.108658
H 4.975268 -2.233968 1.914307
H 4.933376 -2.136216 0.126351
H 3.403371 -2.184064 1.065750
H 1.901320 -1.759266 -1.390288
H 1.460568 2.028513 0.681878
H -0.607578 -2.182996 -1.128124
H -1.013660 1.618320 0.933722


