%chk=000029093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029093

1 1
 O  -0.4162000      -1.638600     -1.0000000E-03
 N   0.2995000       1.131900      3.0000001E-04
 N   -5.069400     -0.5276000      5.0000002E-04
 N    4.183800      -2.736800     -6.0000003E-04
 C    1.224500      0.2210000     -3.9999999E-04
 C    2.655500      0.6150000       0.000000    
 C   -1.035600      0.7014000      9.9999997E-05
 C   -1.373600     -0.6549000     -5.0000002E-04
 C   0.9109000      -1.233000     -1.0000000E-03
 C   -3.721800     -0.1055000     -3.9999999E-04
 C    3.672000     -0.3506000     -9.9999997E-05
 C   -3.398900       1.250500      6.9999998E-04
 C   -2.708600      -1.062100     -1.0000000E-03
 C   -2.061500       1.652100      6.9999998E-04
 C    3.313500      -1.788300     -1.1000000E-03
 C    1.879800      -2.151200     -1.4000000E-03
 C    2.986500       1.979600      6.0000003E-04
 C    5.012500      6.9200002E-02  6.0000003E-04
 C   -4.465400       2.297200     -9.9999997E-05
 C    4.320800       2.381900      1.0000000E-03
 C    5.331900       1.428200      1.2000001E-03
 C   -5.767300     -0.7465000       1.250800    
 C   -5.773000     -0.7331000      -1.248900    
 H   -2.952100      -2.122000     -1.6000000E-03
 H   -1.806700       2.709900      1.9000000E-03
 H    1.622800      -3.207200     -1.8000000E-03
 H    2.220400       2.750600      6.0000003E-04
 H    5.837800     -0.6364000      6.0000003E-04
 H   -4.043300       3.304300     -9.0999998E-02
 H   -5.147200       2.163100     -0.8456000    
 H   -5.033600       2.267700      0.9347000    
 H    4.569700       3.439000      1.4000000E-03
 H    6.372400       1.740100      1.6000000E-03
 H   -5.141100      -1.301600       1.957900    
 H   -6.682700      -1.329000       1.101100    
 H   -6.046200      0.2069000       1.710100    
 H   -5.580100      -1.742400      -1.626700    
 H   -5.455700     -1.5100000E-02  -2.013000    
 H   -6.854500     -0.6168000      -1.120800    
 H    3.906800      -3.720300     -8.9999998E-04
 H    5.190100      -2.573700      1.9999999E-04


%chk=000029093-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029093

1 1
O -0.392656 -1.548614 0.326254
N 0.275090 1.188639 -0.167774
N -5.093374 -0.520820 0.034630
N 4.237887 -2.735969 0.519385
C 1.248600 0.250881 0.001983
C 2.659223 0.625850 -0.065279
C -1.031075 0.780304 -0.101540
C -1.405149 -0.588190 0.153949
C 0.942450 -1.140478 0.246203
C -3.787842 -0.057945 -0.002305
C 3.683169 -0.369823 0.106497
C -3.448240 1.357931 -0.196836
C -2.726137 -1.003218 0.208325
C -2.100903 1.717462 -0.252692
C 3.291203 -1.762041 0.348939
C 1.918145 -2.120582 0.412838
C 3.026435 1.979569 -0.302650
C 5.049671 0.033114 0.034308
C -4.481784 2.474189 -0.211543
C 4.376963 2.350812 -0.369089
C 5.394521 1.372249 -0.199416
C -5.409193 -1.833427 0.639258
C -6.212198 0.060973 -0.742620
H -2.933960 -2.064601 0.354221
H -1.818873 2.767747 -0.375973
H 1.613175 -3.154969 0.595960
H 2.227932 2.715091 -0.430550
H 5.863090 -0.690224 0.158703
H -4.010512 3.418191 0.107022
H -4.909721 2.655192 -1.214798
H -5.317287 2.272095 0.479029
H 4.650406 3.394467 -0.551903
H 6.447955 1.663571 -0.251535
H -5.230058 -2.671196 -0.064529
H -6.475995 -1.842501 0.915874
H -4.819313 -1.994907 1.555606
H -6.713479 -0.754622 -1.295677
H -5.849979 0.786234 -1.480627
H -6.960612 0.543091 -0.087539
H 3.964973 -3.703407 0.687112
H 5.234151 -2.533219 0.487481


