%chk=000145861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145861

0 1
 S    2.010100     -0.9201000      1.3000000E-03
 N   -1.305500      -1.439000     -1.9999999E-04
 N   -2.937400      7.9300001E-02  7.9999998E-04
 N   -1.500100       2.039900      1.9999999E-04
 N   0.8828000       1.516800     -7.9999998E-04
 C  -0.6815000     -0.2241000     -1.9999999E-04
 C   -1.715600      0.7024000      3.9999999E-04
 C   0.6367000      0.1874000     -8.9999998E-04
 C   -2.655500      -1.206100      5.0000002E-04
 C  -0.7080000      -2.753700     -1.2000001E-03
 C    3.427000      0.2202000     -6.0000003E-04
 C  -0.1856000       2.349300     -3.0000001E-04
 C    4.732600     -0.5522000      8.9999998E-04
 H   -3.384200      -2.005600      6.0000003E-04
 H   -1.497900      -3.510300     -2.3000001E-03
 H  -0.1066000      -2.866600     -0.9060000    
 H  -0.1072000      -2.868200      0.9038000    
 H    3.382200      0.8564000     -0.8906000    
 H    3.382100      0.8595000      0.8870000    
 H   4.7699999E-02   3.408600     -3.0000001E-04
 H    4.825100      -1.183400      0.8913000    
 H    4.825200      -1.186700     -0.8871000    
 H    5.577900      0.1440000     -3.0000001E-04


%chk=000145861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145861

0 1
S 2.053016 -0.955929 -0.000123
N -1.353745 -1.488369 -0.000253
N -3.011425 0.115420 -0.000355
N -1.509928 2.089751 -0.000453
N 0.881892 1.539499 -0.000315
C -0.700967 -0.247393 -0.000344
C -1.753496 0.742738 -0.000383
C 0.642740 0.202390 -0.000368
C -2.725021 -1.197649 -0.000297
C -0.753464 -2.831132 -0.000162
C 3.508140 0.264857 0.000002
C -0.190785 2.404866 -0.000396
C 4.816675 -0.537583 0.000110
H -3.471453 -1.990782 -0.000269
H -1.563259 -3.578943 -0.000976
H -0.127649 -2.980608 -0.896210
H -0.128964 -2.981127 0.896727
H 3.396292 0.900076 -0.892020
H 3.396154 0.900061 0.892023
H 0.062300 3.469032 -0.000341
H 4.902967 -1.177725 0.896070
H 4.903118 -1.177686 -0.895863
H 5.671161 0.164035 0.000197


