%chk=000005276.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005276

0 1
 S   -2.718100      -2.746000     -0.9473000    
 O    2.674500      -2.550800       1.113700    
 O   0.8218000      -3.692300     -0.5933000    
 O   0.3160000       4.466100       1.303300    
 N    1.736000       5.147700     -0.3521000    
 N    2.787200       2.252500      -2.140200    
 C  -0.2257000      -1.564100     -0.8964000    
 C   0.7652000      -2.357800     -0.3183000    
 C   0.6560000      0.3715000      0.2491000    
 C  -0.2803000     -0.1995000     -0.6127000    
 C   -1.236300      -2.157900      -1.821400    
 C    1.701600      -1.786600      0.5436000    
 C    1.646900     -0.4219000      0.8273000    
 C   0.5990000       1.794500      0.5450000    
 C    4.026600      -2.197600      0.8285000    
 C   -3.302300      -1.234900     -0.1885000    
 C    1.244200       2.778900     -0.1303000    
 C   -3.645000     -0.1483000     -0.9876000    
 C   -3.411000      -1.154500       1.196600    
 C    4.884100      -3.443900      0.8841000    
 C   -4.100600       1.030000     -0.3960000    
 C   -3.866800      2.3800001E-02   1.788000    
 C   -4.211500       1.115900      0.9917000    
 C    1.043900       4.188500      0.3524000    
 C    2.094500       2.486800      -1.239100    
 H   -1.018500      0.4366000      -1.091400    
 H   -1.536000      -1.418200      -2.573700    
 H  -0.8168000      -2.980800      -2.410300    
 H    2.371800      2.1299999E-02   1.506600    
 H  -4.1200001E-02   2.032700       1.391900    
 H    4.113000      -1.744500     -0.1670000    
 H    4.371200      -1.475400       1.576500    
 H  -5.1800001E-02  -4.016000     -0.8653000    
 H   -3.576400     -0.1955000      -2.071200    
 H   -3.145300      -1.995200       1.832200    
 H    5.932100      -3.207000      0.6809000    
 H    4.813300      -3.917200       1.869000    
 H    4.539700      -4.181200      0.1513000    
 H   -4.370400       1.879900      -1.015900    
 H   -3.952300      9.1300003E-02   2.868500    
 H   -4.566000       2.033400       1.452300    
 H    2.341800       4.944000      -1.140000    
 H    1.659100       6.126600     -9.5399998E-02


%chk=000005276-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005276

0 1
S -2.946843 -2.719102 -1.616225
O 2.200081 -2.446435 0.390636
O 0.037949 -3.314723 -0.900116
O 1.019967 5.072556 -1.266526
N 2.960981 5.335436 -0.017972
N 4.099500 2.239098 1.092474
C -0.553268 -1.040815 -1.656577
C 0.285126 -1.952199 -0.949388
C 0.874003 0.838194 -0.900733
C -0.258769 0.337595 -1.602397
C -1.699925 -1.528976 -2.504980
C 1.441312 -1.470074 -0.248145
C 1.725916 -0.094486 -0.231255
C 1.082621 2.275489 -0.919945
C 3.414447 -2.002434 1.117768
C -3.380642 -1.730225 -0.112925
C 2.066404 3.069481 -0.354307
C -4.474716 -0.836321 -0.174061
C -2.650117 -1.898486 1.086012
C 4.052476 -3.257026 1.704392
C -4.833395 -0.094906 0.975158
C -3.018033 -1.155477 2.231997
C -4.105042 -0.252896 2.177642
C 1.964535 4.565425 -0.587630
C 3.160386 2.585276 0.427766
H -0.912097 1.044052 -2.128135
H -2.286049 -0.688738 -2.905586
H -1.359114 -2.163769 -3.343632
H 2.600663 0.265380 0.311590
H 0.338397 2.865261 -1.477594
H 4.097183 -1.490560 0.410005
H 3.123963 -1.283519 1.910456
H -0.922786 -3.500613 -1.154362
H -5.041121 -0.729416 -1.105117
H -1.811582 -2.601358 1.130059
H 4.968603 -2.987385 2.260364
H 3.357068 -3.762040 2.395984
H 4.322412 -3.967211 0.904650
H -5.680178 0.598538 0.931061
H -2.453604 -1.282858 3.161957
H -4.385624 0.321470 3.067322
H 3.722452 4.929633 0.525612
H 2.923660 6.344064 -0.156198


