%chk=000089137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089137

0 1
 S   -2.778400      -1.974300     -0.5043000    
 P    2.357900     -0.6224000      0.5483000    
 P   -3.450700      1.2900000E-02 -0.4634000    
 O    1.955800      0.9535000      0.6035000    
 O    3.734000     -0.6028000     -0.3203000    
 O    2.576700      -1.180500       1.931800    
 O   -2.578700      0.8397000      0.6323000    
 O   -4.959400      0.1014000      0.1356000    
 O   -3.362900      0.6237000      -1.838200    
 N    1.234800      -1.401100     -0.3898000    
 C  -0.1402000      -1.478600      7.7600002E-02
 C   -1.056500      -1.874100      -1.073600    
 C    1.886400       1.719500     -0.5875000    
 C    4.885200      8.2999999E-03  0.2372000    
 C    1.493300       3.139100     -0.2385000    
 C    6.027500     -9.8899998E-02 -0.7504000    
 C   -2.580500       2.256000      0.5779000    
 C   -5.244200     -0.4213000       1.421800    
 H  -0.2012000      -2.204500      0.8965000    
 H  -0.4315000     -0.5024000      0.4752000    
 H    1.510400      -2.307800     -0.7662000    
 H  -0.9958000      -1.153000      -1.895600    
 H  -0.7751000      -2.856500      -1.467700    
 H    2.856100       1.716200      -1.092800    
 H    1.140200       1.281500      -1.257400    
 H    5.147600     -0.5025000       1.168900    
 H    4.675800       1.058500      0.4607000    
 H   0.5315000       3.156000      0.2841000    
 H    2.229600       3.587100      0.4368000    
 H    1.417800       3.756400      -1.138000    
 H    6.235600      -1.147500     -0.9873000    
 H    5.769100      0.3953000      -1.692800    
 H    6.935600      0.3594000     -0.3488000    
 H   -2.069400       2.591600     -0.3280000    
 H   -3.607300       2.630900      0.5886000    
 H   -2.049100       2.641200       1.451400    
 H   -5.231800      -1.513200       1.390900    
 H   -4.518200     -5.9900001E-02   2.154400    
 H   -6.241600     -8.8299997E-02   1.719600    


%chk=000089137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089137

0 1
S -2.905128 -1.486384 -1.067536
P 1.927747 -0.124844 0.530483
P -3.045109 0.612970 -0.130989
O 1.435744 1.386410 -0.171986
O 3.563463 -0.402491 0.022747
O 1.627927 -0.051288 2.090011
O -2.114011 0.351493 1.313352
O -4.691178 0.729508 0.382692
O -2.592006 1.851047 -1.017737
N 1.228625 -1.408768 -0.379717
C -0.184008 -1.795550 -0.210663
C -1.034495 -1.380220 -1.431139
C 1.586145 1.629950 -1.637465
C 4.658210 0.239560 0.809389
C 0.651422 2.786716 -1.984995
C 5.966014 -0.316817 0.255745
C -1.386184 1.499033 1.943889
C -5.219394 -0.263941 1.349358
H -0.259564 -2.885588 -0.042006
H -0.584563 -1.303235 0.693705
H 1.867484 -2.018976 -0.891451
H -0.814485 -0.344030 -1.736897
H -0.885616 -2.042285 -2.300850
H 2.645635 1.874898 -1.842263
H 1.321263 0.707792 -2.193145
H 4.520982 -0.005503 1.879095
H 4.594300 1.337570 0.682831
H -0.399901 2.530865 -1.766188
H 0.921308 3.687403 -1.407067
H 0.740529 3.027064 -3.061491
H 6.008596 -1.411766 0.382920
H 6.067987 -0.083481 -0.817846
H 6.821637 0.131616 0.793684
H -1.064866 2.224696 1.177750
H -2.047407 1.976302 2.686918
H -0.500461 1.044814 2.414076
H -5.304672 -1.259785 0.878349
H -4.576326 -0.322901 2.244545
H -6.217245 0.116748 1.612391


