%chk=000114108.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114108

0 1
 S   -4.147700      -1.068100      5.7000001E-03
 P   -5.804000      0.2107000     -6.4199999E-02
 O   -7.154000     -0.6766000      8.6700000E-02
 O   -5.850400       1.102500       1.290500    
 O   -5.797500       1.049900      -1.313000    
 N  -0.2653000      0.1096000     -2.4999999E-03
 N    8.489700     -6.7000002E-02  1.6799999E-02
 C    3.498000     -0.4759000     -2.2700001E-02
 C    2.178300      0.3003000     -9.1000004E-03
 C    4.698900      0.4726000     -1.1000000E-03
 C   0.9805000     -0.6479000      5.5000000E-03
 C    6.047800     -0.2525000     -4.4799998E-02
 C    7.244500      0.6927000      5.5100001E-02
 C   -1.416000     -0.7823000      2.2000000E-02
 C   -2.702800      3.2000002E-02 -2.4900001E-02
 H    3.545300      -1.106800     -0.9184000    
 H    3.544700      -1.142900      0.8465000    
 H    2.144900      0.9518000      0.8733000    
 H    2.130100      0.9498000     -0.8923000    
 H    4.636400       1.159600     -0.8541000    
 H    4.652700       1.088700      0.9055000    
 H    1.031600      -1.276600      0.9027000    
 H    1.028600      -1.306800     -0.8702000    
 H    6.088100     -0.9767000      0.7793000    
 H    6.109600     -0.8303000     -0.9760000    
 H  -0.3026000      0.7007000     -0.8325000    
 H    7.198800       1.259500      0.9910000    
 H    7.228900       1.410500     -0.7722000    
 H   -1.378100      -1.464500     -0.8369000    
 H   -1.393500      -1.386100      0.9378000    
 H   -2.766300      0.7095000      0.8334000    
 H   -2.749600      0.6358000     -0.9374000    
 H    9.278800      0.5778000      3.2600001E-02
 H    8.554300     -0.5759000     -0.8639000    
 H   -8.022600     -0.2400000     -4.4300001E-02
 H   -6.506500       1.828900       1.354700    


%chk=000114108-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114108

0 1
S -4.435566 -0.625278 1.475712
P -5.085733 0.237109 -0.512943
O -5.307640 -1.160825 -1.487262
O -6.776656 0.636678 -0.406425
O -4.157494 1.409761 -1.059816
N -0.427692 0.213853 0.652584
N 8.344435 -0.193851 -0.697616
C 3.328709 -0.430221 -0.046991
C 2.038834 0.332783 0.329000
C 4.589853 0.462702 -0.015461
C 0.778313 -0.550829 0.258769
C 5.883060 -0.305071 -0.368453
C 7.138737 0.590242 -0.356405
C -1.700949 -0.528711 0.615407
C -2.719806 0.212959 1.495885
H 3.217834 -0.869132 -1.060684
H 3.467932 -1.283413 0.648715
H 2.124938 0.745586 1.353079
H 1.916608 1.200429 -0.354284
H 4.455427 1.309162 -0.721422
H 4.693791 0.912616 0.993995
H 0.886397 -1.403070 0.958970
H 0.694433 -0.987257 -0.768473
H 6.043244 -1.137815 0.343167
H 5.772368 -0.764719 -1.374334
H -0.494590 1.102748 0.137038
H 7.276451 1.000855 0.662926
H 6.959205 1.464020 -1.032375
H -2.117199 -0.658545 -0.411987
H -1.528874 -1.541758 1.023653
H -2.418252 0.206044 2.556187
H -2.861444 1.253810 1.159190
H 9.229101 0.303207 -0.554514
H 8.300180 -0.630480 -1.624620
H -6.075138 -1.091124 -2.114339
H -6.979218 1.533536 -0.037271


