%chk=000001132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001132

1 1
 S    1.018400       2.648400      -1.664000    
 P    3.983300     -0.7417000     -0.2967000    
 P    1.545400      -2.207400      0.4532000    
 O    3.258800      0.7045000     -0.2512000    
 O    3.063900      -1.686500      0.6391000    
 O    5.328200     -0.5469000      0.5812000    
 O    4.218100      -1.284300      -1.676700    
 O    1.639000      -3.178600     -0.8353000    
 O    1.356000      -3.233500       1.687400    
 O   0.5170000      -1.118900      0.3626000    
 N   -1.170500       2.277400     -0.5000000    
 N   -3.971500      -1.323400      0.6263000    
 N   -2.579400      -1.536400      -1.329100    
 N   -4.276300      0.7933000       1.651400    
 C  -0.2468000       2.340600      0.5194000    
 C    1.001000       2.540100      3.5799999E-02
 C   -2.582800       2.071600     -0.2841000    
 C    2.300700       2.670200      0.7941000    
 C  -0.6762000       2.419700      -1.710800    
 C    2.983700       1.320200      0.9953000    
 C   -2.886700      0.5985000     -0.2950000    
 C  -0.7222000       2.189200       1.902500    
 C   -3.696300     -2.6000000E-03  0.6329000    
 C   -2.346700     -0.2090000      -1.262500    
 C   -3.388700      -2.020300     -0.3678000    
 C   -3.669500      -3.484200     -0.4082000    
 H   -2.893400       2.590300      0.6252000    
 H   -3.150600       2.547500      -1.095400    
 H    2.120100       3.140700       1.767300    
 H    2.976300       3.338700      0.2450000    
 H   -1.261100       2.412100      -2.620600    
 H    2.347400      0.6593000       1.592500    
 H    3.923900       1.468000       1.536400    
 H   -1.250400       1.243100       2.047500    
 H   0.1131000       2.186200       2.610600    
 H   -1.376600       3.017200       2.191600    
 H   -1.716800      0.1458000      -2.066000    
 H   -4.583100       1.728100       1.412400    
 H   -4.841600      0.2948000       2.329000    
 H   -4.064600      -3.764500      -1.389300    
 H   -2.747700      -4.044800     -0.2256000    
 H   -4.403700      -3.770100      0.3514000    
 H    6.106200     -0.1160000      0.1675000    
 H   0.8136000      -3.561300      -1.202000    
 H   0.4712000      -3.625800       1.847000    


%chk=000001132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001132

1 1
S 1.451988 3.251817 -1.387837
P 2.737813 -0.308998 -0.819439
P 1.352734 -2.216098 1.205341
O 3.558702 0.937768 0.061013
O 2.757141 -1.695838 0.167187
O 3.859100 -0.612765 -2.042204
O 1.317372 0.110671 -1.397824
O 0.348961 -3.077643 0.266716
O 2.212248 -3.229605 2.265919
O 0.833462 -0.884737 1.926437
N -0.849413 2.372242 -0.615869
N -4.064113 -1.373882 -0.019111
N -1.749817 -1.788212 -0.346495
N -4.961799 0.752415 -0.195742
C -0.069720 2.340618 0.575849
C 1.227323 2.780961 0.343133
C -2.285057 1.971231 -0.681031
C 2.406447 2.780753 1.273180
C -0.196630 2.819912 -1.714374
C 3.061836 1.377850 1.396186
C -2.523471 0.478162 -0.516363
C -0.613128 1.844553 1.884381
C -3.845887 -0.034521 -0.249559
C -1.496044 -0.461034 -0.582662
C -3.020903 -2.225955 -0.051327
C -3.228238 -3.685095 0.223757
H -2.819028 2.532508 0.110797
H -2.674660 2.330655 -1.652211
H 2.090146 3.092448 2.287539
H 3.167618 3.505948 0.936423
H -0.646977 2.880514 -2.701457
H 2.358562 0.636168 1.821734
H 3.961897 1.447373 2.027318
H -0.356138 0.773341 2.025082
H -0.153352 2.402283 2.717421
H -1.705598 1.967177 1.966885
H -0.448165 -0.207031 -0.814465
H -4.965113 1.749286 -0.397289
H -5.849866 0.291338 0.011345
H -3.556989 -4.199981 -0.698644
H -2.297039 -4.165139 0.565464
H -4.022927 -3.818051 0.973264
H 4.743550 -0.961367 -1.760270
H -0.855052 -2.447008 -0.194309
H 2.390325 -4.145736 1.930413


