%chk=000044271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044271

0 1
 N   -4.747700      -2.206600      1.4000000E-03
 C   0.9191000      0.1830000     -9.9999997E-05
 C   0.2497000      -1.065200     -1.9999999E-04
 C   0.1024000       1.342800       0.000000    
 C   -1.155000      -1.125400     -1.9999999E-04
 C   -1.304600       1.288000     -9.9999997E-05
 C   -1.941700      3.4200002E-02 -1.9999999E-04
 C    2.359900      0.2076000       0.000000    
 C    3.073800      -1.019300       0.000000    
 C   0.9872000      -2.252300     -1.9999999E-04
 C    2.377800      -2.230000       0.000000    
 C   0.6525000       2.740200     -3.0000001E-04
 C   -3.345800     -2.7700000E-02 -1.9999999E-04
 C   -2.088500       2.454900     -9.9999997E-05
 C   -1.780800      -2.496900     -1.6000000E-03
 C    3.136700       1.393600      9.9999997E-05
 C    4.479200      -1.030300      3.0000001E-04
 C   -4.110100       1.139000     -1.9999999E-04
 C   -3.481700       2.379800      9.9999997E-05
 C    4.534200       1.368900      3.0000001E-04
 C    5.205600      0.1564000      3.9999999E-04
 C   -4.122400      -1.234800      6.9999998E-04
 H   0.5966000      -3.258200      1.1000000E-03
 H    2.914500      -3.177300      3.9999999E-04
 H    1.214600       2.903800      0.9261000    
 H    1.215400       2.903000     -0.9263000    
 H   3.9999999E-04   3.605500     -1.3000000E-03
 H   -1.738700       3.475800      3.0000001E-04
 H   -2.362500      -2.634200     -0.9192000    
 H   -2.358600      -2.638300      0.9178000    
 H   -1.155000      -3.382600     -6.3999998E-03
 H    2.798900       2.408100      1.9999999E-04
 H    5.025100      -1.972100      3.9999999E-04
 H   -5.197500       1.104200      9.9999997E-05
 H   -4.076700       3.288700      3.9999999E-04
 H    5.096000       2.298900      3.9999999E-04
 H    6.291000      0.1317000      6.0000003E-04


%chk=000044271-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044271

0 1
N -5.079911 -2.134208 0.007167
C 0.931794 0.251422 -0.000726
C 0.259021 -1.060779 -0.001063
C 0.098399 1.418447 -0.001934
C -1.164465 -1.195547 -0.002235
C -1.345044 1.289427 -0.000574
C -1.988006 -0.023674 -0.000357
C 2.432937 0.266973 0.000351
C 3.155029 -0.990199 0.000814
C 1.068699 -2.265839 0.000136
C 2.438127 -2.238056 0.000908
C 0.683637 2.823669 -0.004998
C -3.450346 -0.063974 0.001786
C -2.193738 2.455280 0.000731
C -1.829587 -2.563934 -0.006040
C 3.275235 1.431112 0.001541
C 4.580252 -1.042984 0.001731
C -4.217163 1.115898 0.002886
C -3.583000 2.381908 0.002242
C 4.680041 1.365559 0.002502
C 5.354298 0.121324 0.002452
C -4.269488 -1.251993 0.004304
H 0.581891 -3.239910 0.001051
H 3.012511 -3.171563 0.001957
H 1.302465 3.002695 0.892162
H 1.306316 2.996819 -0.900614
H -0.078025 3.609707 -0.009336
H -1.757170 3.453250 0.001015
H -2.476222 -2.692714 -0.891111
H -2.469747 -2.701473 0.882471
H -1.122792 -3.400731 -0.013139
H 2.860189 2.429519 0.001977
H 5.060399 -2.028653 0.001983
H -5.308898 1.041013 0.004653
H -4.184644 3.295847 0.003305
H 5.252206 2.300001 0.003343
H 6.448096 0.073261 0.003160


