%chk=000004464.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004464

0 1
 S   0.7704000       1.794100      0.4325000    
 S   -4.450000      -2.589600     -0.4506000    
 S   -4.461300       2.859000      0.3819000    
 O    1.425700       1.689100      -1.057400    
 O   -4.968500      -2.006700      -1.883900    
 O   0.6123000       3.203700      0.7381000    
 O    1.499800      0.9085000       1.319700    
 O   -4.711600       3.389600      -1.144000    
 O   -4.384300      -4.035200     -0.5710000    
 O   -5.219300      -1.958900      0.6061000    
 O   -5.676700       2.174600      0.7982000    
 O   -3.927500       3.964000       1.162600    
 O    2.104700      -2.947400      0.9223000    
 O    6.703500       1.813100      -1.284500    
 O    4.670300       1.740300      -2.120200    
 N    1.234800     -0.9534000      3.2299999E-02
 N    5.541900       1.341200      -1.311600    
 C   -1.145800     -0.2463000      4.2500000E-02
 C   -2.499700     -0.6418000     -7.3200002E-02
 C  -0.8423000       1.107500      0.2612000    
 C   -2.803300      -1.995400     -0.2923000    
 C  -0.1355000      -1.215900     -6.3600004E-02
 C   -3.510100      0.3278000      3.2900002E-02
 C   -3.190500       1.668400      0.2504000    
 C   -1.859100       2.057300      0.3644000    
 C   -1.786800      -2.945400     -0.3951000    
 C  -0.4556000      -2.556400     -0.2808000    
 C    2.241800      -1.803200      0.5029000    
 C    3.610400      -1.223200      0.5084000    
 C    3.915800     -0.2287000     -0.3969000    
 C    4.530600      -1.699600       1.418500    
 C    5.200400      0.3146000     -0.3918000    
 C    5.815300      -1.156400       1.423600    
 C    6.150200     -0.1492000      0.5184000    
 H   -4.556700      9.3199998E-02 -0.1091000    
 H   -1.649300       3.110300      0.5171000    
 H   -1.990000      -3.995800     -0.5802000    
 H   0.2896000      -3.330700     -0.4294000    
 H    1.529700     -6.3199997E-02 -0.3169000    
 H   0.9581000       2.194800      -1.763000    
 H   -4.461800      -2.310700      -2.673300    
 H   -5.013500       2.704300      -1.785600    
 H    3.223800      6.6299997E-02  -1.174500    
 H    4.285500      -2.478500       2.134200    
 H    6.554300      -1.516700       2.133500    
 H    7.160400      0.2505000      0.5523000    


%chk=000004464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004464

0 1
S 0.737946 1.914922 0.837691
S -4.585519 -2.794763 -0.235097
S -4.570429 2.842275 -0.158046
O 1.572473 1.633128 -0.810090
O -4.825565 -2.189277 -1.973680
O 0.450013 3.490002 1.020519
O 1.553183 1.117719 1.978522
O -4.164002 3.260917 -1.916097
O -4.548181 -4.408311 -0.200222
O -5.621361 -1.990062 0.713941
O -6.009592 2.117003 -0.082120
O -4.215971 4.118090 0.768301
O 2.189692 -3.081711 0.896330
O 6.551217 2.177389 -1.400259
O 4.286144 2.363256 -1.544002
N 1.272319 -1.109182 -0.024688
N 5.370335 1.730813 -1.181555
C -1.107984 -0.373652 0.113023
C -2.517609 -0.768280 -0.032554
C -0.903616 1.042581 0.303238
C -2.818302 -2.162979 -0.090619
C -0.099042 -1.427882 0.047378
C -3.551739 0.220978 -0.121687
C -3.212631 1.553403 -0.018273
C -1.900978 2.007226 0.231316
C -1.853365 -3.156744 -0.035422
C -0.494166 -2.780704 0.021753
C 2.338211 -1.925915 0.402374
C 3.701541 -1.293100 0.299341
C 3.961800 -0.185823 -0.531239
C 4.743504 -1.802187 1.118788
C 5.208549 0.458940 -0.447551
C 6.014971 -1.186591 1.128015
C 6.260390 -0.029806 0.356248
H -4.599171 -0.072034 -0.246389
H -1.683914 3.069236 0.401105
H -2.141287 -4.212036 -0.070366
H 0.277893 -3.549389 0.030434
H 1.513678 -0.169208 -0.382966
H 2.449588 2.134054 -0.903368
H -5.785104 -2.335326 -2.222195
H -4.701551 4.064991 -2.176719
H 3.228812 0.181607 -1.249941
H 4.530141 -2.673799 1.745530
H 6.808969 -1.589908 1.763401
H 7.219808 0.494041 0.382995


