%chk=000040211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040211

0 1
 O  -0.4596000      0.5680000      0.8378000    
 O  -0.6292000      -2.439100     -0.6251000    
 O   7.0900001E-02  -2.700400       1.552200    
 N   -3.920600      0.5939000     -0.4299000    
 C    1.333300       2.691700      0.2579000    
 C    1.684000       1.256000      4.3600000E-02
 C   0.7761000      0.2436000      0.3420000    
 C    1.117100      -1.090600      0.1383000    
 C    2.942500      0.9317000     -0.4630000    
 C    2.375700      -1.414900     -0.3681000    
 C    1.336700       3.498800      -1.053400    
 C    2.248000       3.371100       1.293600    
 C   -1.494900      0.7834000     -0.1122000    
 C    3.288300     -0.4038000     -0.6687000    
 C   -2.820800      0.3726000      0.5084000    
 C    2.775100      -2.836100     -0.5997000    
 C   0.1587000      -2.145100      0.4520000    
 C   -3.976200       1.999400     -0.8299000    
 C   -5.191000      0.1812000      0.1654000    
 C   -1.614200      -3.461600     -0.4411000    
 H   0.3229000       2.784500      0.6696000    
 H    3.670400       1.701300     -0.7046000    
 H    2.336900       3.561400      -1.495400    
 H   0.9880000       4.521900     -0.8751000    
 H   0.6702000       3.041300      -1.793000    
 H    2.238600       2.820900       2.241200    
 H    1.907600       4.392700       1.495200    
 H    3.286200       3.429400      0.9495000    
 H   -1.471500       1.848000     -0.3589000    
 H   -1.314200      0.2168000      -1.034900    
 H    4.273000     -0.6386000      -1.064100    
 H   -2.765200     -0.6882000      0.7826000    
 H   -2.972300      0.9202000       1.448600    
 H    2.734100      -3.404000      0.3356000    
 H    2.115700      -3.304600      -1.337800    
 H    3.798800      -2.914900     -0.9817000    
 H   -3.163500       2.262300      -1.514100    
 H   -3.966000       2.682000      2.7700000E-02
 H   -4.893500       2.197500      -1.398100    
 H   -6.008800      0.2907000     -0.5557000    
 H   -5.438500      0.7649000       1.059500    
 H   -5.159900     -0.8784000      0.4427000    
 H   -2.198400      -3.540600      -1.361600    
 H   -2.287000      -3.199500      0.3808000    
 H   -1.125300      -4.421100     -0.2489000    


%chk=000040211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040211

0 1
O -0.503163 0.178434 0.686239
O -0.746550 -2.471609 -0.436805
O 0.764249 -3.448870 1.031250
N -4.000122 1.002001 -0.382648
C 1.111640 2.582217 0.229042
C 1.620488 1.165346 -0.049514
C 0.804778 0.020022 0.161825
C 1.312891 -1.298319 -0.014233
C 2.949214 0.943156 -0.483524
C 2.667389 -1.502240 -0.414154
C 1.075944 3.442196 -1.062871
C 1.961797 3.274846 1.327870
C -1.559927 0.502567 -0.308911
C 3.460530 -0.357670 -0.665385
C -2.858896 0.649597 0.494183
C 3.257551 -2.891294 -0.582974
C 0.455978 -2.492425 0.280293
C -4.014419 2.427158 -0.772973
C -5.299836 0.577349 0.176047
C -1.660076 -3.610441 -0.173543
H 0.082134 2.496487 0.622235
H 3.603641 1.804461 -0.663839
H 2.091440 3.574447 -1.481171
H 0.666971 4.447164 -0.848177
H 0.451289 2.973299 -1.845467
H 1.970606 2.677619 2.256887
H 1.548752 4.273932 1.561387
H 3.009558 3.411475 1.001146
H -1.293114 1.437383 -0.841576
H -1.641816 -0.323778 -1.034905
H 4.496915 -0.493236 -0.994464
H -3.067905 -0.322352 0.976349
H -2.702465 1.393597 1.314946
H 3.277475 -3.431513 0.379482
H 2.660422 -3.510560 -1.277966
H 4.285757 -2.830668 -0.977489
H -3.065444 2.703401 -1.263774
H -4.166801 3.116484 0.097048
H -4.829645 2.603970 -1.497121
H -6.101741 0.781567 -0.556434
H -5.567170 1.098289 1.130658
H -5.285365 -0.509385 0.371641
H -2.541554 -3.411405 -0.799320
H -1.926641 -3.646321 0.896151
H -1.176557 -4.560678 -0.456243


