%chk=000002414.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002414

0 1
 S  -1.9600000E-02 -2.5800001E-02   2.501200    
 O   0.1934000      -2.846800      -1.206000    
 O   -3.834700      -1.530300      0.3667000    
 O   -2.499000     -0.5650000      -1.252200    
 N  -0.3079000     -0.9711000      0.1411000    
 C   0.4329000      0.1523000      0.7402000    
 C   -1.542800      -1.386100      0.7953000    
 C    1.849700     -0.2241000      0.3974000    
 C   -1.692200     -0.6197000       2.107000    
 C   0.4919000      -1.827500     -0.6114000    
 C    1.865000      -1.334200     -0.4552000    
 C   4.6900000E-02   1.511000      0.1471000    
 C    3.042200      0.3802000      0.7606000    
 C   -2.654000      -1.101900     -0.1637000    
 C    3.031100      -1.875300     -0.9618000    
 C  -0.5182000       1.583500      -1.127900    
 C   0.2585000       2.680800      0.8796000    
 C    4.236400     -0.1459000      0.2560000    
 C    4.230300      -1.261900     -0.5992000    
 C  -0.8698000       2.820500      -1.668000    
 C  -9.3400002E-02   3.917800      0.3395000    
 C  -0.6575000       3.987600     -0.9344000    
 C   -4.989300      -1.318300     -0.4518000    
 H   -1.492900      -2.469300      0.9592000    
 H   -2.359500      0.2437000       2.015000    
 H   -2.072500      -1.260300       2.908000    
 H    3.060900       1.245900       1.413700    
 H    3.025500      -2.746600      -1.606300    
 H  -0.6188000      0.7115000      -1.763000    
 H   0.7167000       2.664100       1.864200    
 H    5.182900      0.3147000      0.5269000    
 H    5.171800      -1.653700     -0.9749000    
 H   -1.290400       2.877100      -2.667800    
 H   7.7799998E-02   4.827400      0.9077000    
 H  -0.9259000       4.951200      -1.357400    
 H   -4.889600      -1.863300      -1.395300    
 H   -5.131600     -0.2491000     -0.6358000    
 H   -5.861500      -1.701300      8.4600002E-02


%chk=000002414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002414

0 1
S 0.037794 -0.126670 2.533282
O 0.188748 -3.147074 -0.845378
O -3.923785 -1.550146 0.339223
O -2.751645 -0.689065 -1.481860
N -0.279299 -0.991494 0.026326
C 0.464212 0.129961 0.633962
C -1.571659 -1.336943 0.629135
C 1.912769 -0.218278 0.317101
C -1.723246 -0.506489 1.945612
C 0.576995 -2.009741 -0.467567
C 1.957705 -1.460704 -0.360607
C 0.038162 1.523916 0.166957
C 3.090469 0.511261 0.552355
C -2.765278 -1.129958 -0.316522
C 3.172473 -2.024267 -0.791174
C -0.580496 1.688712 -1.097667
C 0.339377 2.668329 0.948432
C 4.319205 -0.050241 0.124850
C 4.362867 -1.304394 -0.538148
C -0.892626 2.983706 -1.569994
C 0.030893 3.960202 0.471014
C -0.585374 4.122980 -0.792424
C -5.178950 -1.459929 -0.449683
H -1.552534 -2.420218 0.861808
H -2.242888 0.447876 1.766736
H -2.243642 -1.075732 2.728171
H 3.066271 1.486681 1.048396
H 3.179204 -2.989484 -1.307716
H -0.834651 0.806322 -1.692937
H 0.780833 2.540533 1.943384
H 5.252423 0.494566 0.305658
H 5.327293 -1.711516 -0.860485
H -1.380979 3.098384 -2.544077
H 0.262007 4.837261 1.086091
H -0.829776 5.125649 -1.161016
H -5.101444 -2.087552 -1.352871
H -5.367189 -0.414639 -0.746339
H -5.961437 -1.830004 0.226871


