%chk=000019595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019595

0 1
 S    8.024700      -2.071700     -0.5060000    
 O    1.260400       1.251500     -0.1244000    
 O   0.9575000      0.3449000       1.969700    
 N    4.852400      0.4217000     -8.0000004E-03
 N   -4.876900      2.5699999E-02 -0.7291000    
 C    3.431500      0.2380000     -0.2632000    
 C    5.607800     -0.7709000     -0.3993000    
 C   -7.253800     -0.5266000     -0.5876000    
 C   -5.897300     -0.5527000      0.1116000    
 C    2.646500       1.469400      0.1599000    
 C   -8.378600      -1.088500      0.2855000    
 C    7.074900     -0.5998000     -2.5800001E-02
 C    5.359100       1.597100     -0.7206000    
 C   -3.556400      0.1842000     -0.3387000    
 C  -0.8760000      0.5089000      0.4544000    
 C   -9.726100     -0.9884000     -0.4126000    
 C   -3.126900     -0.2232000      0.9380000    
 C   -2.610900      0.7582000      -1.208500    
 C   -1.798300     -6.2199999E-02   1.331200    
 C   -1.282200      0.9191000     -0.8154000    
 C   0.5090000      0.6779000      0.8648000    
 C    9.659600      -1.512500      2.4000000E-02
 H    3.231000      2.1600001E-02  -1.321500    
 H    3.058300     -0.6286000      0.2971000    
 H    5.204600      -1.642900      0.1320000    
 H    5.501700     -0.9629000      -1.475700    
 H   -7.495000      0.5064000     -0.8703000    
 H   -7.195300      -1.098200      -1.522800    
 H   -5.641200      -1.590500      0.3566000    
 H   -5.976700      1.1800000E-02   1.048600    
 H    2.897700       2.353300     -0.4307000    
 H    2.803500       1.723700       1.215100    
 H   -8.424000     -0.5385000       1.232600    
 H   -8.171200      -2.137100      0.5277000    
 H    7.552900      0.2231000     -0.5595000    
 H    7.184600     -0.4385000       1.052000    
 H    5.242800       1.507400      -1.806800    
 H    4.876000       2.522400     -0.3946000    
 H    6.408700       1.807800     -0.5011000    
 H   -5.128400      0.3277000      -1.664100    
 H   -9.723800      -1.550800      -1.351700    
 H   -10.51500      -1.397200      0.2265000    
 H   -9.976000      5.3700000E-02 -0.6362000    
 H   -3.810700     -0.6743000       1.652200    
 H   -2.911300       1.083700      -2.202100    
 H   -1.502200     -0.3886000       2.324700    
 H  -0.5994000       1.368600      -1.530900    
 H    10.39220      -2.297600     -0.1808000    
 H    9.663100      -1.306800       1.097700    
 H    9.952800     -0.6136000     -0.5246000    


%chk=000019595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019595

0 1
S 8.210026 -1.987034 -0.085059
O 1.326584 1.324545 -0.073476
O 1.197758 -0.488023 1.398984
N 4.985046 0.573014 -0.691408
N -5.002654 0.337610 -0.440439
C 3.522638 0.337987 -0.728995
C 5.827122 -0.647186 -0.713164
C -7.392138 -0.316457 -0.368652
C -5.967950 -0.599229 0.147122
C 2.794720 1.368224 0.159645
C -8.436735 -1.287233 0.226572
C 7.132116 -0.433817 0.077383
C 5.423078 1.598092 -1.660914
C -3.640649 0.331364 -0.177383
C -0.825992 0.354119 0.329581
C -9.865877 -1.010566 -0.286004
C -3.052587 -0.618586 0.716822
C -2.786830 1.292413 -0.809108
C -1.670951 -0.599153 0.958567
C -1.409375 1.301402 -0.559516
C 0.621354 0.321025 0.622787
C 9.566681 -1.505651 1.126975
H 3.110018 0.397574 -1.764750
H 3.300460 -0.670089 -0.339803
H 5.265143 -1.472746 -0.241695
H 6.071680 -0.968685 -1.756293
H -7.675632 0.726419 -0.116534
H -7.405541 -0.397569 -1.475231
H -5.686292 -1.644627 -0.103743
H -5.953563 -0.518527 1.255442
H 3.076909 2.401088 -0.100228
H 3.009484 1.168073 1.222705
H -8.417946 -1.210924 1.332459
H -8.149290 -2.329150 -0.020504
H 7.708778 0.424203 -0.309987
H 6.903912 -0.267680 1.143540
H 5.298776 1.266512 -2.722245
H 4.841982 2.526767 -1.524280
H 6.486043 1.849219 -1.502854
H -5.363447 1.041378 -1.084923
H -9.920254 -1.109537 -1.386449
H -10.593091 -1.717714 0.152246
H -10.191510 0.013680 -0.023858
H -3.677802 -1.364068 1.216662
H -3.223245 2.027783 -1.497113
H -1.215528 -1.323725 1.642376
H -0.764333 2.038430 -1.045913
H 10.290444 -2.335541 1.137587
H 9.147629 -1.369059 2.137050
H 10.070531 -0.583147 0.795318


