%chk=000045906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045906

0 1
 S    2.694600      -1.456300      4.7499999E-02
 N    2.470500       1.111100     -3.7200000E-02
 N    4.687500      0.2974000     -1.4000000E-02
 C   -3.825100     -0.5833000     -0.3566000    
 C   -3.773800      0.7684000      0.3427000    
 C   -2.637400      -1.444600      6.6799998E-02
 C   -2.514400       1.530400     -6.4099997E-02
 C   -1.317500     -0.7118000      1.3400000E-02
 C   -1.261000      0.6904000     -8.0000004E-03
 C  -0.1321000      -1.467200      4.4799998E-02
 C  -1.4500000E-02   1.341000     -3.7200000E-02
 C    1.101400     -0.7977000      2.5500000E-02
 C    1.183000      0.5948000     -1.7300000E-02
 C    3.338700      0.1273000     -6.3000000E-03
 H   -3.811900     -0.4357000      -1.444000    
 H   -4.760000      -1.100200     -0.1134000    
 H   -3.786300      0.6203000       1.430000    
 H   -4.660400       1.360300      8.8900000E-02
 H   -2.598500      -2.330000     -0.5791000    
 H   -2.790400      -1.792300       1.096300    
 H   -2.406900       2.404700      0.5891000    
 H   -2.630200       1.897200      -1.091800    
 H  -0.1695000      -2.552700      8.2099997E-02
 H   3.3799998E-02   2.426800     -7.4800000E-02
 H    5.109600       1.219700     -4.4900000E-02
 H    5.325900     -0.4909000      1.1400000E-02


%chk=000045906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045906

0 1
S 2.766097 -1.601503 0.029975
N 2.500003 1.103395 -0.022115
N 4.772060 0.361742 -0.000058
C -3.872860 -0.577276 -0.352082
C -3.795045 0.792169 0.357923
C -2.680709 -1.464058 0.069852
C -2.522920 1.547210 -0.083009
C -1.336890 -0.737731 0.010448
C -1.259911 0.688276 -0.025064
C -0.143013 -1.507112 0.025911
C 0.002661 1.327000 -0.035145
C 1.098235 -0.857086 0.013106
C 1.193304 0.572434 -0.016064
C 3.413196 0.155424 -0.001397
H -3.856757 -0.418935 -1.449256
H -4.823150 -1.090315 -0.111131
H -3.779722 0.633086 1.455022
H -4.690249 1.401020 0.129547
H -2.639717 -2.375847 -0.557260
H -2.851771 -1.814345 1.109978
H -2.380878 2.455810 0.532970
H -2.664558 1.902137 -1.125717
H -0.208890 -2.600581 0.050010
H 0.074066 2.419936 -0.057818
H 5.110442 1.321378 -0.015351
H 5.432080 -0.409129 0.016525


