%chk=000119259.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119259

0 1
 S    4.337700     -0.9499000      0.1947000    
 O   -2.392300       2.226100      0.6562000    
 O    5.743700     -0.8480000      0.5384000    
 O    3.459000      -1.830100      0.9392000    
 N   -4.146200      5.1100001E-02 -3.5200000E-02
 N    3.682800      0.6405000      0.1035000    
 C   -1.986100       1.208400     -0.2578000    
 C   -2.703700     -0.1089000      6.1200000E-02
 C   -4.828100      -1.206500      0.2671000    
 C  -0.4836000       1.058500     -0.1616000    
 C   0.2968000       1.351900      -1.266400    
 C   7.7900000E-02  0.6300000       1.028800    
 C   -4.388900      -2.294400     -0.7090000    
 C   -6.337300     -0.9931000      0.2069000    
 C    2.265100      0.7822000      1.3800000E-02
 C    1.681800       1.212500      -1.178100    
 C    1.463000      0.4908000       1.117200    
 C    4.258200      -1.421100      -1.518800    
 H   -2.273800       1.544400      -1.262000    
 H   -2.459200     -0.4448000       1.075900    
 H   -2.324800     -0.8529000     -0.6469000    
 H   -4.583000      -1.526700       1.287900    
 H   -4.455900      0.7771000      0.6105000    
 H  -0.1457000       1.687400      -2.199700    
 H  -0.5273000      0.4158000       1.904200    
 H   -5.049000      -3.166100     -0.6278000    
 H   -4.433300      -1.951500      -1.749200    
 H   -3.378400      -2.660400     -0.5016000    
 H   -6.655700     -0.2250000      0.9205000    
 H   -6.870100      -1.916900      0.4572000    
 H   -6.658800     -0.6804000     -0.7931000    
 H    2.296800       1.441000      -2.044800    
 H    1.903700      0.1699000       2.057600    
 H   -1.826400       3.004300      0.5138000    
 H    4.205800       1.294000     -0.4948000    
 H    4.715300      -2.408400      -1.616400    
 H    3.214300      -1.468400      -1.832800    
 H    4.817000     -0.6962000      -2.113800    


%chk=000119259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119259

0 1
S 4.766825 -0.539175 0.118278
O -2.417724 1.727905 1.325291
O 6.226352 -0.313031 -0.554659
O 4.567885 -0.773242 1.707267
N -4.078311 -0.103890 -0.016332
N 3.803000 1.025595 -0.355895
C -1.972467 1.168591 0.025853
C -2.611595 -0.230948 -0.033529
C -4.845325 -1.376264 0.011251
C -0.454967 1.129031 -0.079406
C 0.192829 1.448635 -1.297690
C 0.339011 0.756171 1.038193
C -4.735577 -2.113421 -1.342173
C -6.316790 -1.052565 0.340869
C 2.385036 1.017641 -0.283516
C 1.595448 1.366950 -1.415161
C 1.742712 0.714919 0.951761
C 3.892111 -2.009105 -0.769899
H -2.397425 1.772794 -0.803626
H -2.204596 -0.834479 0.817589
H -2.285634 -0.722232 -0.969093
H -4.453511 -2.061647 0.807686
H -4.354258 0.518170 0.757533
H -0.404082 1.749556 -2.167528
H -0.157346 0.532939 1.988737
H -5.333578 -3.043312 -1.325550
H -5.110347 -1.462441 -2.152758
H -3.692421 -2.392989 -1.577851
H -6.405884 -0.545293 1.320740
H -6.921743 -1.975772 0.381191
H -6.740370 -0.386275 -0.432655
H 2.082864 1.600037 -2.370288
H 2.356774 0.470130 1.824209
H -2.056207 2.644606 1.423798
H 4.229320 1.363502 -1.233480
H 4.395582 -2.908611 -0.389499
H 2.833815 -1.966066 -0.478540
H 4.051893 -1.860218 -1.846318


