%chk=000001746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001746

1 1
 I    2.170700       3.004200     -3.9999999E-04
 S  -0.9685000      -1.688600      1.9999999E-04
 N   -3.899800     -0.8249000     -1.7000000E-03
 N   -3.426100       1.458900      1.2000001E-03
 C   0.6994000      0.2871000       0.000000    
 C   0.6561000      -1.110500      3.0000001E-04
 C  -0.6220000      0.8477000       0.000000    
 C   -1.609100     -0.1091000     -1.9999999E-04
 C    1.967200      0.9175000     -1.9999999E-04
 C    1.833600      -1.883900      3.9999999E-04
 C    3.137100      0.1532000     -3.0000001E-04
 C   -3.007300      0.1810000      5.0000002E-04
 C    3.068500      -1.232700      1.9999999E-04
 H  -0.8142000       1.912100     -9.9999997E-05
 H    1.789600      -2.969300      6.9999998E-04
 H    4.117000      0.6249000     -6.0000003E-04
 H    3.983400      -1.819000      1.9999999E-04
 H   -4.895100     -0.6308000     -1.8000000E-03
 H   -3.594800      -1.792100     -3.1000001E-03
 H   -2.792400       2.248100      2.4999999E-03
 H   -4.419700       1.663900      7.9999998E-04


%chk=000001746-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001746

1 1
I 2.156009 3.070734 -0.001326
S -1.000770 -1.775854 0.000931
N -3.936141 -0.820006 -0.002177
N -3.512160 1.478955 0.001905
C 0.728429 0.291066 -0.000084
C 0.697458 -1.151152 0.000438
C -0.581170 0.870072 -0.000234
C -1.619029 -0.062567 0.000297
C 2.007360 0.936800 -0.000455
C 1.860771 -1.938340 0.000635
C 3.175989 0.161018 -0.000263
C -3.044179 0.203675 0.000045
C 3.098272 -1.262044 0.000262
H -0.714917 1.956379 -0.001055
H 1.821171 -3.030853 0.001015
H 4.157078 0.642292 -0.000530
H 4.028074 -1.839595 0.000377
H -4.945513 -0.666614 -0.001915
H -3.621423 -1.791009 -0.004555
H -2.871806 2.270670 0.004290
H -4.509903 1.694075 0.000998


