%chk=000121990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121990

0 1
 S   0.2533000       3.126300     -8.9900002E-02
 P    3.518200      -1.041700     -0.7426000    
 P    4.922600       1.357600      0.2190000    
 O  -0.9996000      -1.476900       1.436200    
 O   -2.385700      -3.566600      -1.139100    
 O  -0.6226000      -4.422400      0.7434000    
 O    2.309100      -1.859400     -4.3499999E-02
 O    3.899000      0.1115000      0.3244000    
 O    2.808500     -0.2183000      -1.940700    
 O    4.680800      -1.886800      -1.176200    
 O    4.249300       2.299200     -0.9089000    
 O    4.658900       2.166000       1.593400    
 O    6.350900      0.9748000     -3.4100000E-02
 N   -2.969100     -0.7918000      0.3042000    
 N   -4.830000      0.3520000     -0.1506000    
 N   -1.333500      0.9975000      0.1442000    
 N   -2.395000       3.124100     -0.4097000    
 N   -4.755900       3.334900     -0.7376000    
 C   -1.502700      -2.617100     -0.5777000    
 C  -0.2602000      -3.244400      2.3200000E-02
 C   -2.108800      -1.925700      0.6341000    
 C   0.1932000      -2.180000       1.017400    
 C    1.156300      -1.170700      0.4083000    
 C   -2.578700      0.5012000      9.2799999E-02
 C   -4.330400     -0.8295000      0.1459000    
 C   -3.746200       1.193200     -0.1869000    
 C   -3.624000       2.555000     -0.4443000    
 C   -1.341700       2.321800     -0.1219000    
 C   0.7839000       2.816100       1.617100    
 H   -1.227000      -1.893100      -1.353100    
 H   0.4795000      -3.532800     -0.7286000    
 H   -2.712200      -2.608900       1.244800    
 H   0.6478000      -2.635100       1.904800    
 H    1.441000     -0.4273000       1.158500    
 H   0.6992000     -0.6382000     -0.4305000    
 H   -2.581900      -4.233600     -0.4594000    
 H   0.1883000      -4.776800       1.146700    
 H   -4.899600      -1.742400      0.2571000    
 H   -4.641000       4.322400     -0.9208000    
 H   -5.674200       2.912900     -0.7640000    
 H    2.603300     -0.6839000      -2.779300    
 H    1.761400       3.277400       1.779300    
 H   0.8672000       1.744600       1.808900    
 H   6.8499997E-02   3.253200       2.318900    
 H    4.733000       3.096800      -1.212500    
 H    5.229000       2.934500       1.809400    


%chk=000121990-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121990

0 1
S -0.598330 2.759730 -2.472795
P 3.750644 -0.527681 -0.470396
P 4.703570 1.254339 2.034380
O -0.813011 -1.827124 1.600792
O -2.509233 -3.279324 -1.296777
O -0.454528 -4.408470 -0.140660
O 2.379463 -1.505549 -0.258065
O 4.106728 -0.111739 1.235830
O 3.122596 0.945725 -1.049158
O 4.930742 -1.230355 -1.233058
O 4.372132 2.390536 0.758753
O 3.441149 1.659721 3.122243
O 6.162754 1.243836 2.634287
N -2.793269 -0.698634 0.835404
N -4.351873 0.781668 1.655046
N -1.602747 0.837063 -0.750705
N -2.578092 3.093581 -0.732240
N -4.382484 3.702147 0.660886
C -1.585738 -2.362065 -0.666729
C -0.181639 -2.989945 -0.430669
C -2.036673 -1.943048 0.770414
C 0.365928 -2.247695 0.802276
C 1.163629 -0.985134 0.447011
C -2.549350 0.525770 0.187108
C -3.881454 -0.471485 1.706162
C -3.524509 1.415148 0.709106
C -3.503711 2.754116 0.215331
C -1.703373 2.136347 -1.167276
C 0.355310 1.214483 -2.967421
H -1.511951 -1.473024 -1.311092
H 0.487668 -2.886500 -1.303196
H -2.672750 -2.734526 1.207309
H 0.979828 -2.912517 1.433880
H 1.458764 -0.452925 1.368053
H 0.603102 -0.308750 -0.222022
H -2.228943 -4.194382 -1.010832
H 0.366797 -4.946976 -0.240849
H -4.274583 -1.264854 2.338713
H -4.338547 4.641865 0.272397
H -5.080840 3.453068 1.358376
H 3.521063 1.753554 -0.577525
H 0.693410 1.396250 -3.999604
H -0.325330 0.351341 -2.936288
H 1.218606 1.066738 -2.302716
H 4.660965 3.325126 0.895832
H 3.620308 1.430150 4.070585


