%chk=000043183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043183

1 1
 S    2.201600      -2.088500     -7.0000002E-03
 N   -1.999200     -0.2798000      3.5000001E-03
 N   0.5806000      -1.727800     -3.1999999E-03
 N    2.860000     -0.5639000     -7.6000001E-03
 C  -0.6306000      0.4057000      6.9999998E-04
 C   -3.085000      0.7924000      6.6000000E-03
 C   -2.103700      -1.162400       1.244100    
 C   -2.205400      -1.162200      -1.226000    
 C   0.4864000     -0.3885000     -2.2000000E-03
 C  -0.5588000       1.761700      1.4000000E-03
 C    1.830200      0.2978000     -4.9000001E-03
 C   0.7012000       2.405300     -1.0000000E-03
 C    1.922700       1.710300     -4.1999999E-03
 H   -3.027700       1.385200     -0.9124000    
 H   -4.053300      0.2782000      1.7800000E-02
 H   -3.015400       1.386900      0.9237000    
 H   -1.800200     -0.5779000       2.118700    
 H   -3.152700      -1.458600       1.352500    
 H   -1.502800      -2.067100       1.139800    
 H   -1.540600      -2.027100      -1.198500    
 H   -3.242700      -1.512800      -1.223300    
 H   -2.017000     -0.5575000      -2.118700    
 H   -1.403900       2.439400      2.7999999E-03
 H   0.7261000       3.494400     -6.9999998E-04
 H    2.872600       2.232100     -6.0000001E-03


%chk=000043183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043183

1 1
S 2.267246 -2.221742 -0.034793
N -2.027774 -0.251428 0.015541
N 0.551677 -1.759183 -0.015475
N 2.911535 -0.580911 -0.038147
C -0.666011 0.426442 0.001778
C -3.180176 0.751958 0.027241
C -2.155582 -1.134080 1.274446
C -2.181274 -1.134112 -1.240241
C 0.521015 -0.394466 -0.012413
C -0.524541 1.810083 0.003634
C 1.839541 0.265846 -0.024835
C 0.774273 2.438884 -0.008702
C 1.947605 1.696270 -0.022714
H -3.141185 1.374536 -0.878603
H -4.120460 0.181174 0.036910
H -3.122251 1.375069 0.931694
H -2.035227 -0.495206 2.162133
H -3.152582 -1.600423 1.267927
H -1.369559 -1.901135 1.240258
H -1.395350 -1.901746 -1.221754
H -3.178011 -1.600536 -1.213406
H -2.079394 -0.495471 -2.130332
H -1.394968 2.470138 0.014681
H 0.818912 3.531450 -0.006843
H 2.934944 2.163889 -0.032086


