%chk=000002913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002913

0 1
 N   -4.023300     -0.2293000      0.2279000    
 C   -1.258100     -9.3699999E-02 -0.5897000    
 C   -2.151300       1.111600     -0.7021000    
 C   -1.994700      -1.405400     -0.5897000    
 C   -3.281600       1.038900      0.3306000    
 C   -3.130900      -1.381600      0.4390000    
 C   7.3399998E-02 -5.7000001E-03 -0.4675000    
 C   0.8595000      -1.255800     -0.3639000    
 C   0.6882000       1.336700     -0.3597000    
 C   -5.126800     -0.2549000       1.187700    
 C    1.720300      -1.486400      0.7263000    
 C    1.511500       1.674700      0.7314000    
 C   0.7705000      -2.216400      -1.389000    
 C   0.4734000       2.280300      -1.381800    
 C    1.865800     -0.5635000       1.865400    
 C    1.777300      0.7756000       1.867800    
 C    2.439600      -2.693600      0.7808000    
 C    2.066300       2.965700      0.7897000    
 C    1.503100      -3.400700      -1.324700    
 C    1.044600       3.550200      -1.313900    
 C    2.334900      -3.640900     -0.2382000    
 C    1.838200       3.894100     -0.2263000    
 H   -1.692200       2.081400     -0.5212000    
 H   -2.577700       1.141600      -1.713300    
 H   -2.409000      -1.578600      -1.591500    
 H   -1.404700      -2.285000     -0.3314000    
 H   -2.870500       1.167600       1.341400    
 H   -3.964700       1.878000      0.1484000    
 H   -3.703200      -2.312000      0.3363000    
 H   -2.712100      -1.367700       1.454700    
 H   -5.708700      -1.177100       1.080300    
 H   -5.817700      0.5748000       1.001700    
 H   -4.776400     -0.1866000       2.224000    
 H   0.1492000      -2.044300      -2.265900    
 H  -0.1092000       2.029300      -2.266300    
 H    2.102000      -1.043000       2.814700    
 H    1.948700       1.278800       2.818600    
 H    3.098300      -2.908100       1.620400    
 H    2.691500       3.262200       1.630000    
 H    1.426400      -4.131300      -2.124400    
 H   0.8751000       4.265900      -2.112700    
 H    2.904700      -4.563800     -0.1820000    
 H    2.282600       4.883300     -0.1677000    


%chk=000002913-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002913

0 1
N -4.123062 -0.241197 0.324733
C -1.341262 -0.082756 -0.590428
C -2.264647 1.127033 -0.634654
C -2.113046 -1.395466 -0.608429
C -3.369339 1.027579 0.446658
C -3.221678 -1.406174 0.474003
C 0.025503 0.001018 -0.464226
C 0.902825 -1.213736 -0.398123
C 0.750828 1.313152 -0.414659
C -5.273277 -0.300021 1.246860
C 1.696606 -1.488952 0.763776
C 1.502652 1.695676 0.744690
C 0.927697 -2.134112 -1.478898
C 0.667507 2.217239 -1.506299
C 1.823156 -0.564868 1.899141
C 1.738728 0.807183 1.891083
C 2.415448 -2.719959 0.827135
C 2.067658 3.004935 0.794349
C 1.675413 -3.328743 -1.415263
C 1.264782 3.494345 -1.455513
C 2.413134 -3.630976 -0.245193
C 1.957699 3.896907 -0.288285
H -1.710316 2.069722 -0.496501
H -2.765701 1.168870 -1.623286
H -2.607072 -1.516444 -1.594043
H -1.449624 -2.262288 -0.454107
H -2.894560 1.125573 1.458749
H -4.077646 1.869322 0.328475
H -3.822311 -2.330162 0.376018
H -2.738647 -1.423075 1.486786
H -5.840610 -1.232670 1.075442
H -5.949489 0.552257 1.053575
H -4.978750 -0.269027 2.327178
H 0.341012 -1.902775 -2.375158
H 0.115483 1.906513 -2.400609
H 2.131397 -1.032455 2.845343
H 1.986584 1.320019 2.831595
H 3.000272 -2.941985 1.728294
H 2.619192 3.305967 1.693523
H 1.673415 -4.023258 -2.262625
H 1.180399 4.173877 -2.310780
H 2.984562 -4.563152 -0.176528
H 2.411384 4.892365 -0.229602


