%chk=000161258.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161258

0 1
 S    4.254100      -2.597800      -1.387000    
 P    3.142100      -1.011100      -1.249600    
 P    3.222200       1.725800     -0.1286000    
 P    1.783100      0.6559000       2.216700    
 O  -0.7619000      -1.496800      0.7814000    
 O   -1.586500      -4.440000      0.6082000    
 O    1.723200      -1.175700     -0.4792000    
 O   -4.725100     -0.3757000       1.006200    
 O    3.812500      0.2814000     -0.5414000    
 O    2.659200     -0.3962000      -2.672400    
 O   -3.582500       3.577000      -1.047700    
 O    1.930400       1.360400      0.7701000    
 O    2.564100       2.273100      -1.500300    
 O    4.195400       2.663600      0.5227000    
 O   0.2033000      0.7753000       2.536700    
 O    2.458300       1.718100       3.230300    
 O    2.343200     -0.7344000       2.285200    
 N   -2.580000     -0.1890000      0.1039000    
 N   -4.142300       1.590000     -2.1600001E-02
 C   -1.239700      -3.495000     -0.4018000    
 C  -0.1212000      -2.590700      9.6900001E-02
 C   -2.386600      -2.534400     -0.6157000    
 C   -2.165100      -1.507900      0.4832000    
 C   0.7185000      -2.008700      -1.032800    
 C   -1.677100      0.6198000     -0.5743000    
 C   -3.873900      0.2856000      0.4079000    
 C   -1.937100       1.867400     -0.9841000    
 C   -3.280400       2.438600     -0.6998000    
 C  -0.9501000       2.721300      -1.713200    
 H  -0.9715000      -4.057400      -1.301000    
 H   0.5244000      -3.090700      0.8274000    
 H   -3.376800      -2.995000     -0.5412000    
 H   -2.302600      -2.074800      -1.608000    
 H   -2.689200      -1.813700       1.396500    
 H   0.1308000      -1.422800      -1.742900    
 H    1.181000      -2.827100      -1.594200    
 H   -2.339900      -4.957300      0.2759000    
 H  -0.6969000      0.2188000     -0.7742000    
 H   -5.068200       1.953400      0.1866000    
 H   -1.379800       3.092000      -2.649600    
 H  -4.4900000E-02   2.163400      -1.969700    
 H  -0.6587000       3.579100      -1.099000    
 H    2.089500      0.4023000      -2.672500    
 H    3.150400       2.646800      -2.192200    
 H  -0.1581000      0.3158000       3.324300    
 H    2.578600       1.466900       4.170800    


%chk=000161258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161258

0 1
S 2.891513 -1.477576 -3.580532
P 2.487455 -0.211458 -2.038096
P 4.138743 1.143727 0.316692
P 2.196758 -0.095743 2.533281
O -0.745507 -1.075539 0.835245
O -1.194841 -3.949249 1.625620
O 1.243537 -0.691150 -0.920828
O -4.826667 -0.468878 0.777819
O 3.854095 -0.014316 -0.913684
O 2.023244 1.390007 -2.336403
O -4.305005 3.151656 -2.148241
O 2.810428 1.072061 1.379454
O 3.597072 2.532138 -0.601174
O 5.592107 1.199702 0.911445
O 0.579035 0.289477 2.521659
O 2.767035 0.629130 3.966345
O 2.641780 -1.594547 2.248632
N -2.693686 -0.024515 -0.097045
N -4.510685 1.355362 -0.672515
C -1.129915 -3.369011 0.282063
C -0.027525 -2.297283 0.344737
C -2.399333 -2.555492 -0.069687
C -2.199199 -1.204736 0.660700
C 0.614107 -2.022940 -1.023041
C -1.863001 0.744440 -0.926046
C -4.072550 0.246981 0.055850
C -2.324033 1.819058 -1.650746
C -3.745264 2.190680 -1.547550
C -1.433000 2.653804 -2.537144
H -0.912070 -4.144666 -0.480389
H 0.738241 -2.527728 1.104390
H -3.328715 -3.046689 0.258713
H -2.466557 -2.388822 -1.159790
H -2.687643 -1.193378 1.647962
H -0.128530 -1.998204 -1.843173
H 1.369407 -2.800072 -1.245301
H -1.939100 -4.600859 1.673617
H -0.808982 0.453549 -0.930561
H -5.505260 1.586003 -0.578344
H -1.810430 2.654753 -3.576040
H -0.395126 2.279853 -2.536683
H -1.437872 3.708822 -2.207368
H 2.556157 2.075921 -1.789970
H 3.677376 3.416446 -0.167405
H -0.017511 -0.224481 1.829294
H 3.098118 -0.016639 4.641136


