%chk=000040447.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040447

0 1
 N   -4.053600       1.807300      0.2629000    
 C   0.7697000      0.9070000     -0.5362000    
 C    2.218900     -0.3722000       1.123000    
 C   0.7802000     -0.2191000      0.5551000    
 C    2.563800       2.115600      0.8227000    
 C    3.238900      0.5311000      -1.006700    
 C    1.162800       2.231600      0.1899000    
 C    1.839900      0.6682000      -1.629100    
 C    2.590300      0.9513000       1.829600    
 C    3.255000     -0.6198000      1.0900000E-02
 C    3.592300       1.841700     -0.2852000    
 C  -0.6152000       1.079800      -1.174000    
 C   9.7099997E-02  -1.549100      0.2519000    
 C   -1.673500       1.358800     -0.1137000    
 C   0.2346000      -2.123900      -1.007600    
 C  -0.6577000      -2.177700       1.237100    
 C   -3.043300       1.561300     -0.7592000    
 C  -0.3898000      -3.340000      -1.284900    
 C   -1.281900      -3.393900      0.9597000    
 C   -1.147900      -3.975000     -0.3014000    
 C   -4.116000      0.6889000       1.205500    
 C   -5.364400       2.028100     -0.3503000    
 H    2.261000      -1.190500       1.851800    
 H   0.1971000      0.1786000       1.400400    
 H    2.815900       3.051000       1.334800    
 H    3.976100      0.3400000      -1.794600    
 H   0.4707000       2.481000       1.000100    
 H    1.143700       3.074300     -0.5135000    
 H    1.851700       1.538600      -2.302200    
 H    1.638600     -0.1613000      -2.300000    
 H    3.587800      0.8678000       2.278800    
 H    1.891900       1.150300       2.651800    
 H    3.048900      -1.569200     -0.4956000    
 H    4.256200     -0.7141000      0.4499000    
 H    3.607100       2.674100     -0.9994000    
 H    4.599400       1.774700      0.1445000    
 H  -0.5884000       1.919700      -1.881300    
 H  -0.8980000      0.2041000      -1.767300    
 H   -1.714200      0.5139000      0.5709000    
 H   -1.448400       2.257700      0.4661000    
 H   0.8319000      -1.718400      -1.800700    
 H  -0.7691000      -1.738500       2.224600    
 H   -2.988600       2.423000      -1.436500    
 H   -3.302300      0.6853000      -1.368700    
 H  -0.2787000      -3.798200      -2.263500    
 H   -1.871500      -3.888900       1.725700    
 H   -1.632100      -4.923100     -0.5166000    
 H   -4.997100      0.7847000       1.852400    
 H   -3.267400      0.6877000       1.896600    
 H   -4.181900     -0.2833000      0.7033000    
 H   -6.111000       2.274900      0.4129000    
 H   -5.714200       1.150200     -0.9055000    
 H   -5.328800       2.880300      -1.038300    


%chk=000040447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040447

0 1
N -4.268551 1.784731 0.231388
C 0.791195 0.947436 -0.427744
C 2.399540 -0.398954 1.047664
C 0.897830 -0.241735 0.608168
C 2.709293 2.109113 0.836829
C 3.243239 0.605211 -1.125266
C 1.244118 2.234466 0.335859
C 1.783103 0.764983 -1.620253
C 2.827868 0.893890 1.794748
C 3.340932 -0.612418 -0.167948
C 3.661178 1.895307 -0.371241
C -0.643814 1.114755 -1.002453
C 0.232062 -1.577320 0.259675
C -1.784465 1.326037 0.020190
C 0.455933 -2.320487 -0.932803
C -0.648865 -2.148526 1.221266
C -3.141717 1.499984 -0.692633
C -0.172464 -3.567830 -1.150004
C -1.276946 -3.395848 1.013493
C -1.042077 -4.114999 -0.180410
C -4.617218 0.635230 1.090945
C -5.452803 2.295159 -0.489890
H 2.474717 -1.266549 1.732900
H 0.366653 0.114827 1.516356
H 2.991255 3.035984 1.375310
H 3.912621 0.449291 -1.994903
H 0.574164 2.421378 1.198271
H 1.151364 3.108044 -0.342177
H 1.711351 1.660706 -2.272458
H 1.486814 -0.094477 -2.250129
H 3.872685 0.794119 2.151898
H 2.189222 1.046914 2.688045
H 3.088248 -1.548957 -0.700281
H 4.383211 -0.723861 0.193518
H 3.613603 2.766738 -1.055299
H 4.709028 1.811471 -0.018793
H -0.628360 1.977712 -1.703242
H -0.882907 0.221345 -1.616116
H -1.826265 0.458158 0.704062
H -1.606341 2.226137 0.637712
H 1.121496 -1.935475 -1.709221
H -0.838598 -1.600745 2.154008
H -3.062979 2.357238 -1.390557
H -3.346120 0.590686 -1.320206
H 0.020008 -4.113646 -2.081208
H -1.948308 -3.802835 1.778473
H -1.527041 -5.082593 -0.351723
H -5.435833 0.922878 1.775100
H -3.751760 0.338752 1.706618
H -4.950266 -0.262772 0.508127
H -6.240854 2.569117 0.234994
H -5.891259 1.555865 -1.209774
H -5.180419 3.202764 -1.057988


