%chk=000010214.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010214

0 1
 S    3.925500       1.112400     -0.2479000    
 P   -4.829100      0.5256000      0.7822000    
 P    1.989100       2.981200      0.2583000    
 O  -0.3657000      0.7228000      -1.242300    
 O   -3.552300       1.377400      0.2830000    
 O   -3.387500      8.6499996E-02  -2.112600    
 O   0.4348000       3.196100     -0.1387000    
 O   -5.918000       1.655000       1.174400    
 O   -4.339400     -3.3599999E-02   2.218400    
 O   -5.310100     -0.5243000     -0.1762000    
 O    2.343700       1.510600     -0.3221000    
 O    2.773000       3.954500     -0.7717000    
 O    2.335100       3.208900       1.701600    
 O    3.921800     -0.4459000     -0.7275000    
 O    4.352000       1.139500       1.138300    
 O    4.638100       1.874800      -1.255700    
 N  -0.3576000      -1.650700      -1.210900    
 N   0.4406000      -3.734100      -1.228400    
 N   0.5871000     -0.8626000      0.8840000    
 N    1.911600      -2.600900       1.970500    
 N    2.195200      -4.780400       1.023600    
 C   -2.355500      0.6827000      4.9000001E-03
 C   -2.501700     -0.3602000      -1.087300    
 C   -1.282500       1.595700     -0.5624000    
 C   -1.084400     -0.4597000      -1.653900    
 C  -0.5434000       2.392500      0.4977000    
 C   0.3781000      -1.785700     -6.6799998E-02
 C  -0.2894000      -2.848600      -1.874000    
 C   0.8642000      -3.083000     -9.7099997E-02
 C    1.658600      -3.482200      0.9730000    
 C    1.368000      -1.364100       1.865500    
 H   -1.992300      0.2042000      0.9224000    
 H   -2.886300      -1.313100     -0.7103000    
 H   -1.696500       2.283600      -1.310900    
 H   -1.075000     -0.4802000      -2.750100    
 H  -6.6000000E-02   1.735200       1.230900    
 H   -1.230500       3.054800       1.033400    
 H   -3.408800     -0.6032000      -2.797900    
 H  -0.7909000      -3.015600      -2.817600    
 H   -6.814000       1.372400       1.456400    
 H   -4.909300     -0.6713000       2.698600    
 H    1.592600     -0.6835000       2.679800    
 H    2.008900      -5.439500      0.2800000    
 H    2.770500      -5.046300       1.811200    
 H    2.802600       4.916800     -0.5839000    
 H    3.372700     -0.6413000      -1.522800    


%chk=000010214-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010214

0 1
S 2.924046 2.101208 -2.791471
P -4.686031 0.784975 0.375789
P 2.206720 3.360653 0.197662
O 0.217458 0.490724 -0.853163
O -3.098056 1.401593 0.278177
O -2.665836 -0.170933 -2.114718
O 0.553960 3.393084 0.722888
O -5.597875 2.209940 0.545529
O -4.735356 0.162400 1.956781
O -5.107407 -0.202356 -0.806566
O 1.858375 2.946717 -1.431125
O 2.540710 5.033447 0.104677
O 3.204878 2.465775 1.044464
O 1.874158 0.707859 -2.728594
O 4.401467 1.780541 -2.266385
O 2.690017 2.933818 -4.132026
N 0.207730 -1.912631 -0.813107
N 1.713840 -3.648004 -0.774324
N -0.564243 -2.006196 1.560191
N 0.538130 -3.811262 2.813655
N 2.144657 -5.248970 1.847324
C -1.918273 0.509491 0.195880
C -1.969011 -0.590523 -0.914200
C -0.746203 1.432983 -0.196701
C -0.486791 -0.755144 -1.329510
C -0.114655 2.106878 1.025716
C 0.180176 -2.425655 0.495852
C 1.163246 -2.683391 -1.519897
C 1.108199 -3.497827 0.490439
C 1.277049 -4.203534 1.718521
C -0.320883 -2.760868 2.678515
H -1.751518 0.016662 1.170342
H -2.377783 -1.531774 -0.502055
H -1.078816 2.181948 -0.937346
H -0.432901 -0.767418 -2.430966
H 0.575164 1.411386 1.541138
H -0.926386 2.409388 1.708794
H -3.653629 -0.256869 -1.951215
H 1.404071 -2.472084 -2.560210
H -5.777058 2.711544 -0.290581
H -5.546041 -0.351410 2.202345
H -0.882186 -2.485992 3.576305
H 2.710476 -5.541677 1.052869
H 2.235298 -5.708113 2.751702
H 3.174403 5.353029 0.797375
H 1.210307 0.799789 -1.889670


