%chk=000026643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026643

0 1
 S    3.632700     -0.1011000      0.7824000    
 O   0.9648000     -4.4100001E-02   1.049500    
 O  -0.7950000       3.614400      0.8303000    
 O   0.9359000       2.385800       1.390500    
 O   -4.762500     -0.5655000      -1.468100    
 O   -4.693800       1.601500      -1.123600    
 O    1.819400      0.2686000      -1.088000    
 N  -0.2181000       2.504600      0.9152000    
 N   -4.168300      0.4636000      -1.065200    
 C  -0.3427000      -2.396100      0.1506000    
 C  -0.9831000      -1.020500      7.7399999E-02
 C   -1.134700      -3.391600       1.022700    
 C  -0.1469000      -2.974700      -1.256000    
 C  -0.2919000      8.6099997E-02  0.5327000    
 C   -2.256700     -0.9186000     -0.4509000    
 C   -1.344800      -2.900900       2.450000    
 C  -0.8960000       1.341100      0.4575000    
 C   -2.860700      0.3363000     -0.5261000    
 C   -2.180400       1.466300     -7.1999997E-02
 C    2.005000      6.8999998E-02  0.1075000    
 C    4.633000      0.1012000     -0.7078000    
 C    6.114800     -4.4900000E-02 -0.3804000    
 C    6.970200      0.1195000      -1.628100    
 H   0.6563000      -2.328800      0.5965000    
 H  -0.5900000      -4.343600       1.060200    
 H   -2.112300      -3.613900      0.5782000    
 H   0.4236000      -2.285400      -1.888700    
 H   0.4092000      -3.917500      -1.207900    
 H   -1.098100      -3.180600      -1.758300    
 H   -2.774600      -1.807400     -0.7995000    
 H   -1.822700      -3.684100       3.047400    
 H  -0.3899000      -2.651400       2.923400    
 H   -1.991300      -2.019000       2.486200    
 H   -2.654100       2.443400     -0.1321000    
 H    4.338200     -0.6551000      -1.443300    
 H    4.439300       1.089700      -1.137900    
 H    6.314900      -1.031400      5.5300001E-02
 H    6.419600      0.7082000      0.3565000    
 H    6.825300       1.107800      -2.076000    
 H    8.030300      1.2400000E-02  -1.377500    
 H    6.720400     -0.6381000      -2.377900    


%chk=000026643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026643

0 1
S 3.630540 -0.002130 0.778900
O 1.012597 -0.032132 0.812560
O -0.808211 3.613951 1.121155
O 1.098200 2.650261 0.318911
O -5.101654 -0.555605 -0.950203
O -4.957649 1.705900 -0.681807
O 1.906226 -0.062137 -1.373185
N -0.155790 2.625005 0.611872
N -4.448755 0.521956 -0.672710
C -0.428668 -2.450195 0.030962
C -1.065533 -1.061005 0.030301
C -1.208526 -3.456396 0.926245
C -0.303702 -2.970437 -1.428497
C -0.314866 0.103501 0.341718
C -2.427310 -0.894379 -0.311483
C -1.253005 -3.062218 2.417747
C -0.924131 1.387887 0.316111
C -3.010514 0.386549 -0.317057
C -2.283950 1.545472 0.002881
C 2.077296 -0.025397 -0.146123
C 4.819039 -0.049423 -0.712496
C 6.251961 0.202690 -0.218296
C 7.253631 0.153545 -1.395648
H 0.589913 -2.359075 0.451829
H -0.717822 -4.443451 0.818164
H -2.239139 -3.584011 0.537641
H 0.282200 -2.272675 -2.051928
H 0.201595 -3.953196 -1.436219
H -1.299108 -3.098334 -1.893271
H -3.050812 -1.754665 -0.570466
H -1.775500 -3.831820 3.013605
H -0.232890 -2.949709 2.829504
H -1.783635 -2.104553 2.570869
H -2.754210 2.531599 0.006515
H 4.711869 -1.038047 -1.188072
H 4.477555 0.728382 -1.414209
H 6.532384 -0.555926 0.537720
H 6.306285 1.190018 0.277883
H 7.013701 0.917987 -2.157376
H 8.281632 0.342660 -1.038987
H 7.243055 -0.835248 -1.890361


