%chk=000020624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020624

0 1
 O   -6.083100     -0.2519000      -2.272400    
 O   -4.862500       1.943600       2.405300    
 N   -3.178000     -0.2798000     -4.1000000E-03
 C    1.186000      0.2501000     -5.4099999E-02
 C   -1.874100      0.3793000     -6.5399997E-02
 C   0.3194000      0.5174000      -1.337700    
 C   0.3007000      0.7424000       1.146200    
 C   -1.096900     -7.3600002E-02  -1.299700    
 C   -1.082300      8.7800004E-02   1.207100    
 C    1.590400      -1.232900      0.1588000    
 C    2.496200       1.077900     -0.1973000    
 C   -3.970400      4.2700000E-02  -1.190200    
 C   -3.892700      0.1126000       1.210100    
 C    1.790600      -1.720400       1.448900    
 C    3.061200       1.270200      -1.456100    
 C    1.753000      -2.073600     -0.9407000    
 C    3.099300       1.623200      0.9336000    
 C   -5.343600     -0.6050000      -1.110900    
 C   -4.153100       1.610500       1.219400    
 C    2.154500      -3.053300       1.640300    
 C    4.235600       2.011800      -1.584400    
 C    2.116700      -3.406400     -0.7495000    
 C    4.273700       2.364800      0.8054000    
 C    2.317500      -3.896300      0.5411000    
 C    4.841800       2.559000     -0.4537000    
 H   -1.980200       1.466700     -0.1693000    
 H   0.7770000      0.1453000      -2.258400    
 H   0.2155000       1.604100      -1.477200    
 H   0.1510000       1.828200       1.041200    
 H   0.7743000      0.6335000       2.125300    
 H   -1.583900      0.2511000      -2.225600    
 H   -1.039200      -1.168700      -1.334800    
 H   -1.551500      0.5215000       2.095600    
 H  -0.9948000     -0.9912000       1.379300    
 H   -3.512100     -0.3870000      -2.088500    
 H   -4.053300       1.116400      -1.398700    
 H   -4.830900     -0.4387000       1.336700    
 H   -3.376500     -0.2008000       2.124000    
 H    1.712800      -1.105900       2.337100    
 H    2.655900      0.8412000      -2.364100    
 H    1.625500      -1.731700      -1.961100    
 H    2.702500       1.481700       1.932500    
 H   -5.950400     -0.2484000     -0.2769000    
 H   -5.269000      -1.696700      -1.062700    
 H   -4.785100       1.946200      0.3945000    
 H   -3.247700       2.220900       1.232600    
 H    2.319000      -3.433500       2.644300    
 H    4.683300       2.156600      -2.563400    
 H    2.248400      -4.062200      -1.605200    
 H    4.748800       2.787300       1.686000    
 H    2.603700      -4.933400      0.6898000    
 H    5.757700       3.134000     -0.5533000    
 H   -6.946300     -0.6951000      -2.208800    
 H   -4.302300       1.699500       3.161800    


%chk=000020624-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020624

0 1
O -5.487200 -0.329728 -2.896419
O -5.151356 1.316032 3.296115
N -3.332080 0.101692 0.136655
C 1.115989 0.338219 -0.064248
C -1.951808 0.657845 0.063505
C 0.225091 0.652169 -1.313401
C 0.330133 0.877002 1.171211
C -1.227572 0.131705 -1.203465
C -1.092378 0.287361 1.296216
C 1.423394 -1.176217 0.108445
C 2.474140 1.071011 -0.250573
C -4.223251 0.447564 -0.996572
C -4.015897 0.071259 1.444514
C 2.052264 -1.624575 1.302047
C 3.350471 0.644438 -1.286261
C 1.177225 -2.139863 -0.902880
C 2.882793 2.168493 0.549104
C -4.551978 -0.787009 -1.851914
C -4.348591 1.455267 2.068616
C 2.399051 -2.978857 1.489375
C 4.578499 1.294530 -1.523581
C 1.525496 -3.498846 -0.723680
C 4.117082 2.821555 0.318132
C 2.133463 -3.928763 0.475533
C 4.969955 2.392087 -0.720768
H -1.975107 1.779122 -0.002792
H 0.696314 0.265447 -2.236556
H 0.206698 1.754646 -1.428833
H 0.237940 1.977671 1.074923
H 0.890021 0.687689 2.105454
H -1.777826 0.436190 -2.114148
H -1.256714 -0.973030 -1.160996
H -1.546354 0.681267 2.225190
H -1.048356 -0.815054 1.391522
H -3.767912 1.221540 -1.644875
H -5.182601 0.870374 -0.637929
H -4.969235 -0.477899 1.323883
H -3.413646 -0.515802 2.165758
H 2.295608 -0.902220 2.089823
H 3.076700 -0.221130 -1.900958
H 0.713217 -1.840998 -1.848103
H 2.248672 2.527688 1.365291
H -5.013353 -1.567322 -1.210268
H -3.623670 -1.200439 -2.296148
H -4.988269 2.046044 1.391934
H -3.421093 2.034198 2.266326
H 2.884992 -3.291751 2.420722
H 5.233986 0.941914 -2.328189
H 1.321212 -4.219630 -1.523963
H 4.409234 3.665837 0.953523
H 2.402935 -4.981486 0.615922
H 5.925558 2.897634 -0.899449
H -5.744732 -1.094507 -3.469009
H -4.635051 0.790638 3.958942


