%chk=000167833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167833

0 1
 S    2.075600      -2.125900      0.3746000    
 S    2.313000      0.8126000       2.288500    
 P    2.511600     -5.0999999E-02  0.5380000    
 O   -1.702000       1.681400      0.8264000    
 O   -3.310100       1.920900     -0.7985000    
 O  -0.7165000      -2.500300      -1.010500    
 O    4.000500      0.1754000     -9.9399999E-02
 O    1.650200      0.7122000     -0.6236000    
 N   -1.389000     -0.8479000      0.4799000    
 C   -3.813100     -0.9725000     -7.0500001E-02
 C   -2.451100     -0.2887000     -0.3193000    
 C   -4.149600      -1.128400       1.416500    
 C   -3.886200      -2.334100     -0.7680000    
 C   -2.548600       1.222100     -0.1375000    
 C  -0.6050000      -1.914100      6.4999998E-02
 C   0.4262000      -2.324300       1.089800    
 C   -1.730400       3.093600       1.058400    
 C  -0.7178000       3.762400      0.1533000    
 C    5.148600     -0.3255000      0.5652000    
 C    1.700400      0.2607000      -1.966900    
 C    6.379100      2.6200000E-02 -0.2434000    
 C   0.8143000       1.145200      -2.817900    
 H   -4.598600     -0.3494000     -0.5186000    
 H   -2.165300     -0.4223000      -1.371400    
 H   -3.461000      -1.814100       1.921000    
 H   -4.109000     -0.1624000       1.930100    
 H   -5.162400      -1.527300       1.539700    
 H   -3.222000      -3.067700     -0.3015000    
 H   -3.624400      -2.250500      -1.827800    
 H   -4.904200      -2.735300     -0.7111000    
 H   -1.224400     -0.4396000       1.395300    
 H   0.2616000      -3.379400       1.329900    
 H   0.3418000      -1.754600       2.017900    
 H   -1.454500       3.254300       2.105600    
 H   -2.734300       3.511000      0.9212000    
 H   0.2795000       3.338000      0.3083000    
 H  -0.9688000       3.605400     -0.9007000    
 H  -0.6759000       4.838200      0.3455000    
 H    5.067400      -1.411300      0.6692000    
 H    5.225600      0.1191000       1.561200    
 H    1.347400     -0.7703000      -2.035000    
 H    2.730800      0.3061000      -2.331700    
 H    6.314200     -0.4016000      -1.249300    
 H    6.463900       1.111300     -0.3641000    
 H    7.285500     -0.3471000      0.2413000    
 H  -0.2190000       1.116900      -2.457000    
 H    1.141900       2.188400      -2.760300    
 H   0.8317000      0.8264000      -3.863800    


%chk=000167833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167833

0 1
S 1.972356 -2.028384 -0.782947
S 1.515459 0.360226 2.041482
P 2.326820 0.057880 0.161663
O -1.849448 1.449514 0.584059
O -3.662136 1.590358 -0.881264
O -1.323021 -2.814481 -1.352703
O 4.048506 0.177169 -0.039377
O 1.843819 1.243811 -0.990651
N -1.497275 -1.131744 0.260183
C -4.035711 -1.158387 0.534536
C -2.779095 -0.620192 -0.248397
C -4.024709 -0.734645 2.020800
C -4.152613 -2.691582 0.391766
C -2.819135 0.910328 -0.253497
C -0.852042 -2.187775 -0.354258
C 0.488879 -2.571770 0.274245
C -1.771383 2.942641 0.686023
C -0.939794 3.517920 -0.462049
C 4.926735 -0.562035 0.916302
C 2.343311 1.126353 -2.404082
C 6.359442 -0.298836 0.464082
C 1.638913 2.224754 -3.192378
H -4.907396 -0.687564 0.036351
H -2.874657 -0.964443 -1.295873
H -3.143350 -1.152421 2.542551
H -4.007462 0.363537 2.143147
H -4.927999 -1.116794 2.529810
H -3.312222 -3.200863 0.897604
H -4.141317 -3.004871 -0.666531
H -5.092272 -3.044273 0.855543
H -1.011617 -0.572919 0.972092
H 0.575510 -3.669774 0.289200
H 0.639606 -2.165447 1.290515
H -1.291685 3.101637 1.664385
H -2.801378 3.341715 0.688903
H 0.048273 3.030177 -0.506543
H -1.456335 3.379793 -1.427314
H -0.793398 4.602605 -0.302095
H 4.672373 -1.639120 0.875691
H 4.738080 -0.180401 1.937412
H 2.087324 0.118333 -2.783726
H 3.440119 1.252838 -2.392385
H 6.524170 -0.674306 -0.559908
H 6.583472 0.780919 0.485056
H 7.062806 -0.815323 1.143036
H 0.545560 2.082911 -3.174227
H 1.874877 3.219438 -2.777894
H 1.978640 2.195692 -4.244335


