%chk=000146342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146342

0 1
 S    2.299600       2.465500       1.606500    
 O  -0.1886000     -0.7297000      0.1660000    
 N   0.5974000       1.924800     -0.4936000    
 N   -4.312800     -0.4368000      9.8200001E-02
 N    3.890100      -1.509600      5.9999999E-02
 C  -0.6998000     -0.1353000      -1.039900    
 C   -2.132800      0.2940000     -0.7323000    
 C   0.1360000       1.041400      -1.570500    
 C   -2.945300     -0.8661000     -0.1690000    
 C    1.156900     -0.9586000      0.1098000    
 C    1.614300       1.504700      0.3922000    
 C    2.074900      8.8299997E-02  0.2293000    
 C  -1.6600000E-02   3.254300     -0.4703000    
 C   -4.330900      0.6360000       1.094300    
 C   -5.128100      -1.564800      0.5523000    
 C    1.596700      -2.273200      3.5000001E-03
 C    3.425400     -0.2441000      0.1853000    
 C    2.963500      -2.490900     -2.1900000E-02
 H  -0.7381000     -0.9134000      -1.814700    
 H   -2.607500      0.6976000      -1.634900    
 H   -2.073700       1.099300      6.2000002E-03
 H    1.025400      0.6623000      -2.089600    
 H  -0.4237000       1.617900      -2.316700    
 H   -2.487000      -1.268200      0.7433000    
 H   -2.953300      -1.675500     -0.9102000    
 H   -1.102000       3.153900     -0.5574000    
 H   0.3628000       3.819300      -1.327100    
 H   0.2022000       3.807500      0.4433000    
 H   -5.360400      0.8431000       1.411800    
 H   -3.971300       1.583800      0.6824000    
 H   -3.752800      0.3866000       1.991500    
 H   -5.141900      -2.358800     -0.2028000    
 H   -6.169100      -1.254800      0.6972000    
 H   -4.759500      -1.989200       1.493300    
 H   0.8996000      -3.100900     -6.4099997E-02
 H    4.206500      0.5076000      0.2400000    
 H    3.363500      -3.495600     -0.1116000    


%chk=000146342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146342

0 1
S 2.239288 2.611831 1.316596
O -0.129816 -1.027393 -0.201149
N 0.582311 1.859029 -0.699724
N -4.374421 -0.302866 0.265600
N 4.061795 -1.368193 0.381831
C -0.806848 -0.173585 -1.232321
C -2.104385 0.343792 -0.599660
C 0.134750 0.926044 -1.755647
C -3.027997 -0.795694 -0.120933
C 1.265459 -1.055693 -0.078548
C 1.584654 1.500899 0.175405
C 2.090732 0.098968 0.103036
C -0.000200 3.214515 -0.637125
C -4.355013 0.534298 1.485221
C -5.340107 -1.416202 0.394371
C 1.852338 -2.342230 0.004041
C 3.480904 -0.141585 0.322393
C 3.235126 -2.452207 0.237053
H -1.043214 -0.854526 -2.079035
H -2.658034 0.935558 -1.355970
H -1.842612 1.015944 0.237570
H 1.018838 0.460534 -2.230225
H -0.393756 1.497058 -2.537964
H -2.527219 -1.352081 0.709096
H -3.165506 -1.512882 -0.954717
H -0.878152 3.263041 -1.300813
H 0.744217 3.974922 -0.938098
H -0.297137 3.448979 0.400013
H -5.380884 0.876199 1.709680
H -3.731019 1.430765 1.330349
H -3.964579 -0.009113 2.383270
H -5.393980 -1.975457 -0.556880
H -6.345348 -1.011776 0.609469
H -5.078534 -2.140036 1.207762
H 1.217337 -3.225626 -0.103808
H 4.136626 0.721772 0.477323
H 3.713987 -3.434603 0.312337


