%chk=000037869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037869

0 1
 S    2.850100       1.483700      5.8400001E-02
 S   -3.801900     -0.2425000     -0.9501000    
 F   -4.415300     -0.8257000       1.505000    
 F   -4.242100      -2.535200      0.1622000    
 F   -2.446100      -1.519900      0.8634000    
 O    3.231100       1.977000       1.375500    
 O    3.290000       2.193300      -1.134700    
 O   -5.208100      1.6799999E-02  -1.196800    
 O   -2.961800     -0.8042000      -1.989000    
 N   -3.097800       1.180900     -0.2891000    
 C    1.108900       1.394500     -3.6499999E-02
 C   -1.039600       1.205500       1.052300    
 C   -1.673100       1.252300     -0.1896000    
 C   0.3514000       1.276600       1.128900    
 C   0.4752000       1.441300      -1.278400    
 C    3.502400     -0.1627000     -2.0700000E-02
 C  -0.9157000       1.370200      -1.354900    
 C   -1.827600       1.079600       2.315300    
 C    3.810700     -0.7035000      -1.254400    
 C    3.687500     -0.8680000       1.152900    
 C   -3.720600      -1.317800      0.4511000    
 C    4.323500      -1.999200      -1.316800    
 C    4.200400      -2.163700       1.090400    
 C    4.518400      -2.729300     -0.1445000    
 H   0.8406000       1.231000       2.098500    
 H    1.043600       1.527600      -2.200000    
 H   -1.393900       1.420900      -2.329700    
 H   -3.620700       1.630200      0.4721000    
 H   -1.219600       1.362000       3.183200    
 H   -2.689500       1.753400       2.327700    
 H   -2.160800      5.4099999E-02   2.480600    
 H    3.658900     -0.1531000      -2.177500    
 H    3.437500     -0.4505000       2.123000    
 H    4.569200      -2.440500      -2.278300    
 H    4.349900      -2.733400       2.002900    
 H    4.916600      -3.738500     -0.1930000    


%chk=000037869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037869

0 1
S 2.931976 1.543170 -0.001828
S -4.088125 -0.053019 -0.998723
F -3.190459 -1.559637 1.314841
F -4.628700 -2.752583 0.016199
F -2.469522 -2.472655 -0.646509
O 3.309356 2.182304 1.459031
O 3.380582 2.206656 -1.429403
O -5.645998 0.205063 -0.672513
O -3.506146 -0.206465 -2.492849
N -3.148073 1.368626 -0.139056
C 1.036817 1.420545 -0.043854
C -1.058408 1.400440 1.189553
C -1.733349 1.342030 -0.077917
C 0.353536 1.462166 1.180049
C 0.397739 1.372340 -1.293470
C 3.557589 -0.250582 -0.000671
C -1.007950 1.340951 -1.305204
C -1.825103 1.435457 2.497435
C 3.817128 -0.856003 -1.240118
C 3.792485 -0.862510 1.240386
C -3.549639 -1.883547 -0.005372
C 4.314616 -2.180174 -1.227792
C 4.290992 -2.186331 1.231209
C 4.543152 -2.841797 0.002351
H 0.920452 1.558099 2.112904
H 0.979690 1.404812 -2.219689
H -1.559051 1.327256 -2.249331
H -3.648570 1.526492 0.751542
H -1.133852 1.405237 3.354488
H -2.425337 2.360701 2.601223
H -2.511447 0.572766 2.595295
H 3.664794 -0.302517 -2.172695
H 3.620262 -0.312680 2.171706
H 4.529894 -2.687276 -2.173937
H 4.489353 -2.697949 2.178696
H 4.931017 -3.866185 0.003422


