%chk=000005438.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005438

1 1
 S  -0.5435000       1.506400       0.000000    
 N    2.115700       1.387100     -6.9999998E-04
 N   -3.570600       1.065800      1.1000000E-03
 N   -3.428300      -1.262200     -1.9000000E-03
 C   0.8184000     -0.6884000      5.0000002E-04
 C   -1.405800      2.9899999E-02  7.9999998E-04
 C   0.9568000      0.6956000       0.000000    
 C  -0.5641000      -1.060800      1.1000000E-03
 C    2.007600      -1.445700      5.0000002E-04
 C   -2.831300     -5.7300001E-02 -6.9999998E-04
 C    3.227600     -0.7770000     -9.9999997E-05
 C    3.217400      0.6066000     -6.9999998E-04
 H  -0.8881000      -2.093500      1.5000000E-03
 H    1.978200      -2.531300      1.0000000E-03
 H    4.161700      -1.327600     -1.9999999E-04
 H    4.155900       1.154300     -1.3000000E-03
 H   -4.583400       1.016100      6.0000003E-04
 H   -3.130400       1.979400      2.7999999E-03
 H   -2.912100      -2.132900     -3.1000001E-03
 H   -4.441000      -1.323800     -2.0999999E-03


%chk=000005438-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005438

1 1
S -0.590411 1.606607 -0.002239
N 2.177086 1.407379 -0.001759
N -3.617542 1.063023 0.002287
N -3.524396 -1.271824 -0.002735
C 0.842430 -0.684563 0.000264
C -1.428718 -0.012147 -0.000712
C 1.011548 0.744189 -0.001122
C -0.533641 -1.084870 0.000665
C 2.036717 -1.466274 0.001156
C -2.882116 -0.075958 -0.000417
C 3.268795 -0.793569 0.000573
C 3.300813 0.634620 -0.000909
H -0.826160 -2.140364 0.002334
H 1.989442 -2.559968 0.002285
H 4.212793 -1.344924 0.001229
H 4.252864 1.174163 -0.001429
H -4.638880 1.057768 0.001930
H -3.164919 1.978869 0.005208
H -3.002274 -2.146112 -0.005915
H -4.542731 -1.345344 -0.001594


