%chk=000125284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125284

0 1
 O    5.925300     -0.5896000     -0.6132000    
 O   -5.614900      0.6058000      0.9041000    
 N   -5.498400      -2.884900      0.6164000    
 C    1.972900      0.9237000      0.4845000    
 C    2.710500     -0.3106000     -7.6399997E-02
 C   0.6211000       1.170300     -0.1932000    
 C  -0.2858000     -8.2199998E-02  2.3300000E-02
 C   -1.724000      8.8100001E-02 -0.6030000    
 C    4.008100     -0.2273000      0.7577000    
 C    1.841600      -1.543300      0.2070000    
 C   0.4321000      -1.395300     -0.3938000    
 C    3.033700       2.018400      0.4430000    
 C  -6.6500001E-02   2.422400      0.3661000    
 C    4.336000       1.280000      0.8011000    
 C   -2.317800       1.428600     -0.1541000    
 C    3.018000     -0.2233000      -1.594300    
 C   -1.426600       2.641200     -0.2844000    
 C   -2.618800      -1.087200     -0.1062000    
 C   -1.685200      6.8400003E-02  -2.148300    
 C    5.142900      -1.043000      0.2206000    
 C   -4.114600     -0.8473000     -0.3137000    
 C   -3.564700       1.576400      0.3234000    
 C   -4.517300      0.4413000      0.3744000    
 C    5.280800      -2.443700      0.7527000    
 C   -4.888600      -1.987000      0.2065000    
 H    1.761700      0.7461000       1.552700    
 H   0.7797000       1.332700      -1.264600    
 H  -0.4305000     -0.1616000       1.113400    
 H    3.818800     -0.5516000       1.790400    
 H    1.746900      -1.698900       1.289400    
 H    2.306100      -2.448900     -0.1984000    
 H   0.5011000      -1.460200      -1.484100    
 H  -0.1562000      -2.261400     -7.1300000E-02
 H    2.825300       2.822600       1.155900    
 H    3.107600       2.468600     -0.5530000    
 H   0.5552000       3.307200      0.1862000    
 H  -0.1867000       2.333900       1.453600    
 H    5.134900       1.584800      0.1172000    
 H    4.664100       1.557200       1.810000    
 H    2.118300     -9.3599997E-02  -2.201300    
 H    3.686200      0.6081000      -1.839900    
 H    3.499200      -1.143200      -1.946100    
 H   -1.292400       2.872400      -1.348300    
 H   -1.891100       3.527600      0.1650000    
 H   -2.434500      -1.254600      0.9657000    
 H   -2.332900      -2.020000     -0.6102000    
 H   -2.658100      0.3315000      -2.579500    
 H  -0.9584000      0.7783000      -2.555100    
 H   -1.424500     -0.9233000      -2.532500    
 H   -4.341100     -0.7316000      -1.380000    
 H   -3.941700       2.540500      0.6489000    
 H    5.349900      -2.420800       1.843200    
 H    4.430900      -3.052100      0.4403000    
 H    6.196400      -2.893900      0.3585000    


%chk=000125284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125284

0 1
O 6.040658 -0.673685 -0.577283
O -5.718886 0.533561 0.985467
N -5.499107 -3.032138 0.459675
C 1.985460 0.955234 0.452064
C 2.725358 -0.314815 -0.085613
C 0.618183 1.201125 -0.219765
C -0.286199 -0.053124 0.009730
C -1.740364 0.097061 -0.605606
C 4.055345 -0.214082 0.772751
C 1.828688 -1.541989 0.204459
C 0.420364 -1.368929 -0.426605
C 3.063000 2.064307 0.409820
C -0.068199 2.465049 0.344825
C 4.389894 1.314688 0.771637
C -2.343934 1.428624 -0.126666
C 3.063179 -0.227009 -1.598274
C -1.478058 2.665247 -0.262312
C -2.606599 -1.095850 -0.098610
C -1.709884 0.105800 -2.168145
C 5.200764 -1.094796 0.265504
C -4.134254 -0.870964 -0.290212
C -3.614216 1.527818 0.384338
C -4.584595 0.422553 0.442821
C 5.288162 -2.510917 0.822980
C -4.908168 -2.051817 0.125609
H 1.773191 0.749672 1.527878
H 0.775732 1.352143 -1.308517
H -0.435204 -0.115224 1.113510
H 3.793535 -0.550109 1.797448
H 1.723909 -1.667990 1.302888
H 2.281107 -2.473408 -0.189568
H 0.514146 -1.398929 -1.528495
H -0.196103 -2.240821 -0.139990
H 2.849330 2.885567 1.116420
H 3.123487 2.511684 -0.600598
H 0.548780 3.359583 0.139064
H -0.150874 2.373939 1.447545
H 5.187139 1.513088 0.034718
H 4.773404 1.623791 1.760266
H 2.163293 -0.059836 -2.214991
H 3.780315 0.582386 -1.815421
H 3.530416 -1.167122 -1.944097
H -1.360716 2.902709 -1.341435
H -1.983089 3.533683 0.197913
H -2.414180 -1.256120 0.980079
H -2.317443 -2.021918 -0.625328
H -2.711436 0.314784 -2.586185
H -1.026096 0.877342 -2.561525
H -1.379434 -0.872094 -2.559190
H -4.340335 -0.699985 -1.368548
H -3.987486 2.491275 0.754468
H 5.613175 -2.469851 1.881464
H 4.301115 -3.008128 0.812896
H 6.017727 -3.105362 0.251042


