%chk=000050614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050614

0 1
 S   -1.441900      0.1533000      -2.157800    
 S   -5.982400      6.7800000E-02 -0.6202000    
 S    5.488200       1.127500     -0.6633000    
 S    4.779900      -1.407900     -0.6258000    
 O   0.3857000       2.272300      -1.187600    
 O  -0.5478000       2.212700       1.914400    
 O   -2.678100      0.1203000       2.980300    
 O    2.641500      0.5371000      -1.916200    
 O   -4.334100       1.330600       1.968700    
 O    9.311200      9.5200002E-02   1.138100    
 O    6.762400      -2.975900      0.7041000    
 O    8.359800       1.374500     -0.4770000    
 N   -1.431900      0.5783000      0.4631000    
 N    1.752000      0.8154000      0.1998000    
 N   -8.720500     -0.3233000     -0.5473000    
 N   -7.606400      -2.002200      0.2546000    
 N   -9.647800      -1.218000     -0.1788000    
 N   -8.960600      -2.242900      0.3106000    
 N    8.931200      -2.648800      5.3300001E-02
 C   0.3988000       1.185100     -0.2398000    
 C  -0.5759000      3.5399999E-02 -0.5760000    
 C  -0.5449000       1.465000      0.9645000    
 C   -2.708500      0.1696000      0.6803000    
 C   -3.380300     -0.5680000     -0.2355000    
 C   -2.816200     -0.9159000      -1.611200    
 C    2.778900      0.5170000     -0.6895000    
 C   -4.768900      -1.126500     -3.5000000E-02
 C   -3.350600      0.6192000       1.924300    
 C   0.7977000       3.530800     -0.6770000    
 C    4.099000      0.1585000      1.7000001E-02
 C    6.161800     -0.4224000     -0.2926000    
 C   -7.480400     -0.8094000     -0.2798000    
 C    7.401000     -0.7633000      6.7500003E-02
 C    7.652400      -2.221600      0.3185000    
 C    8.388900      0.3459000      0.1814000    
 C   -9.113200      0.9348000      -1.129900    
 H  -0.1972000     -0.9660000     -0.3371000    
 H    1.958600      0.7734000       1.195000    
 H   -2.475200      -1.957100      -1.609400    
 H   -3.593200     -0.8234000      -2.376800    
 H   -4.948700      -1.342700       1.024100    
 H   -4.877700      -2.077500     -0.5693000    
 H   0.9976000       4.192200      -1.524600    
 H    1.712500       3.448700     -8.3400004E-02
 H  -1.7000000E-03   3.976900     -7.9300001E-02
 H    4.039500      0.1914000       1.112600    
 H   -3.073900      0.3968000       3.834200    
 H   -8.684500       1.002500      -2.132700    
 H   -10.20360      0.9842000      -1.191700    
 H   -8.743800       1.742900     -0.4940000    
 H    9.192400      -3.620500      0.1838000    
 H    9.658700      -2.025800     -0.2826000    
 H    9.956500      0.8286000       1.228100    


%chk=000050614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050614

0 1
S -1.666602 0.848049 -1.897180
S -5.871563 -0.696848 0.578772
S 5.426774 1.135460 -0.896599
S 4.328755 -0.326432 1.286280
O -0.045934 3.132237 -1.000425
O -1.015668 2.904839 2.152937
O -1.793712 0.355054 3.445637
O 2.338181 0.785968 -1.460098
O -3.980295 -0.287005 2.993651
O 8.638481 -2.140745 -1.145712
O 5.615740 -2.424570 1.826825
O 7.699326 -0.142902 -1.861950
N -1.269307 0.844000 0.843665
N 1.603405 2.003619 0.394016
N -7.675283 -0.607602 -1.558245
N -5.694423 -1.429081 -2.162888
N -7.762464 -0.913259 -2.940675
N -6.561577 -1.408738 -3.278630
N 7.500097 -3.437838 0.925941
C 0.207135 2.111416 -0.022048
C -0.492638 0.772846 -0.428853
C -0.763009 2.108666 1.231469
C -2.394794 0.055405 1.157027
C -3.026902 -0.686178 0.172554
C -2.595654 -0.686641 -1.284583
C 2.584848 1.352620 -0.362445
C -4.169248 -1.616799 0.482993
C -2.833556 0.023026 2.580634
C 0.283599 4.506289 -0.569396
C 3.950336 1.350905 0.304942
C 5.672756 -0.343472 0.089119
C -6.414493 -0.930843 -1.116604
C 6.663552 -1.310083 -0.013914
C 6.574280 -2.429626 0.961267
C 7.661275 -1.120374 -1.062547
C -8.815748 -0.040514 -0.837793
H 0.155477 -0.109633 -0.513372
H 1.854903 2.425972 1.291960
H -1.962113 -1.572607 -1.484860
H -3.488964 -0.783786 -1.929230
H -4.106978 -2.082880 1.475372
H -4.300040 -2.373250 -0.305790
H -0.019847 5.143510 -1.412438
H 1.371260 4.615774 -0.395978
H -0.279741 4.783156 0.340533
H 4.132939 2.203994 0.978397
H -2.137666 0.397371 4.378142
H -8.579332 0.972601 -0.470075
H -9.659315 0.014030 -1.540778
H -9.089159 -0.682315 0.017132
H 7.411375 -4.193843 1.602972
H 8.247954 -3.421919 0.227716
H 9.259877 -1.922219 -1.889746


