%chk=000115703.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115703

0 1
 S    2.104300      -1.931700      -1.463900    
 S    2.086700       2.304800       1.089600    
 N   -3.220100     -0.9756000      0.9167000    
 C   -1.241400      0.4053000       1.116600    
 C  -3.7300002E-02 -0.4634000      0.8008000    
 C    1.146200     -8.8699996E-02  0.2630000    
 C   -2.459700     -4.4700000E-02  0.3255000    
 C   -1.497700      0.4263000       2.628900    
 C    2.127400      -1.117000      2.5800001E-02
 C    1.379700       1.287600     -7.5099997E-02
 C   -2.683300      0.5222000     -0.9036000    
 C    3.107000      -1.538800      0.8686000    
 C    1.100300       1.916700      -1.250700    
 C   -3.805400      8.8900000E-02  -1.600900    
 C    3.881000      -2.577800      0.2756000    
 C    1.478300       3.289600      -1.203800    
 C   -4.301700      -1.372000      0.2091000    
 C   -4.635400     -0.8761000      -1.040800    
 C    3.443200      -2.889600     -0.9927000    
 C    2.028000       3.633800      1.1500000E-02
 H   -1.049700       1.450000      0.8429000    
 H  -0.1777000      -1.518400       1.046600    
 H   -2.371800       1.042000       2.869300    
 H   -1.675100     -0.5779000       3.031700    
 H  -0.6369000      0.8466000       3.161500    
 H   -2.030400       1.274200      -1.330400    
 H    3.280300      -1.141300       1.860900    
 H   0.6493000       1.438800      -2.111500    
 H   -4.033000      0.5025000      -2.578800    
 H    4.716200      -3.071500      0.7550000    
 H    1.353100       3.989300      -2.019900    
 H   -4.916300      -2.126100      0.6895000    
 H   -5.515400      -1.228700      -1.566200    
 H    3.845500      -3.634000      -1.665200    
 H    2.397700       4.602200      0.3178000    


%chk=000115703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115703

0 1
S 3.451957 -1.109890 -1.232071
S 2.879924 2.240435 0.196051
N -2.854527 -1.242734 0.487515
C -1.171072 0.433582 1.159462
C -0.000958 -0.467488 0.810278
C 1.199485 -0.099808 0.243558
C -2.405142 0.044550 0.339530
C -1.484751 0.314237 2.680338
C 2.294467 -1.087639 0.173935
C 1.428413 1.255961 -0.302555
C -3.051720 0.969539 -0.518383
C 2.586158 -2.134297 1.047838
C 0.652666 1.979072 -1.204826
C -4.194696 0.560232 -1.241609
C 3.691717 -2.959419 0.637881
C 1.165468 3.289185 -1.516806
C -3.954509 -1.626614 -0.219023
C -4.658553 -0.766465 -1.093775
C 4.268931 -2.553416 -0.556049
C 2.344213 3.589476 -0.852276
H -0.914379 1.482020 0.927542
H -0.149232 -1.524236 1.070992
H -2.313894 0.989758 2.960351
H -1.785073 -0.719530 2.924175
H -0.596917 0.582787 3.279661
H -2.667242 1.991658 -0.605783
H 2.034712 -2.283625 1.979464
H -0.242465 1.551974 -1.664616
H -4.711402 1.261109 -1.906349
H 4.055579 -3.812644 1.215603
H 0.684717 3.975583 -2.218095
H -4.277745 -2.664219 -0.072800
H -5.537899 -1.127951 -1.635984
H 5.120194 -2.976700 -1.086440
H 2.949477 4.493016 -0.903334


