%chk=000044222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044222

0 1
 S    5.112700     -1.4000000E-03  0.2227000    
 O    5.752700     -3.0000001E-04  -1.281800    
 O    5.481900       1.263300      0.8419000    
 O    5.453100      -1.265200      0.8574000    
 N  -0.7666000      1.4000000E-03 -0.5825000    
 N   -1.351900     -1.0000000E-03  0.5261000    
 C    3.382900     -7.9999998E-04 -1.4900000E-02
 C   0.6257000      1.0000000E-03 -0.3907000    
 C    2.691200      -1.208300     -0.1108000    
 C    2.692400       1.207600     -0.1074000    
 C    1.309000      -1.207500     -0.2992000    
 C    1.310300       1.208500     -0.2958000    
 C   -5.501100      6.9999998E-04 -4.2100001E-02
 C   -2.737200     -3.9999999E-04  0.3357000    
 C   -4.810400      -1.207600      4.9100000E-02
 C   -4.810100       1.208400      5.5599999E-02
 C   -3.428300      -1.208200      0.2381000    
 C   -3.428000       1.207700      0.2444000    
 C   -6.978500      2.0000001E-03 -0.2458000    
 H    3.208300      -2.161700     -4.9500000E-02
 H    3.211100       2.160000     -4.2599998E-02
 H   0.7782000      -2.152600     -0.3756000    
 H   0.7802000       2.154300     -0.3694000    
 H   -5.337800      -2.155100     -2.3800001E-02
 H   -5.337500       2.156200     -1.2200000E-02
 H   -2.898900      -2.154800      0.3093000    
 H   -2.898500       2.154000      0.3206000    
 H   -7.297100      0.8787000     -0.8198000    
 H   -7.301400     -0.8820000     -0.8063000    
 H   -7.491000      1.0200000E-02  0.7212000    
 H    5.531500      0.7857000      -1.834700    


%chk=000044222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044222

0 1
S 5.306678 0.307995 0.030821
O 5.574178 -1.490204 -0.362502
O 5.962089 1.194504 -1.153624
O 5.721234 0.561701 1.574366
N -0.727473 0.238525 -0.645483
N -1.457295 -0.010116 0.413761
C 3.445423 0.262504 -0.144512
C 0.685737 0.229278 -0.393430
C 2.682476 -0.028156 1.002468
C 2.899782 0.537773 -1.408595
C 1.282972 -0.040948 0.872085
C 1.495353 0.520201 -1.523448
C -5.707153 -0.071838 -0.019724
C -2.865329 -0.012358 0.187246
C -4.893418 0.192336 -1.161869
C -5.067526 -0.304353 1.225463
C -3.494367 0.224007 -1.070960
C -3.662828 -0.275984 1.331813
C -7.217612 -0.102157 -0.144919
H 3.174404 -0.221093 1.960991
H 3.546587 0.769555 -2.259920
H 0.633920 -0.258126 1.724859
H 1.002170 0.725664 -2.478149
H -5.378293 0.373808 -2.128934
H -5.675607 -0.508250 2.113912
H -2.867040 0.426104 -1.944314
H -3.157728 -0.453987 2.286863
H -7.703508 -0.305288 0.824028
H -7.606383 0.861447 -0.524823
H -7.543155 -0.882906 -0.858183
H 6.558612 -1.666838 -0.308086


