%chk=000031014.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031014

0 1
 O   -1.453700       1.973900     -0.5187000    
 O    2.584000      -1.758200     -9.8399997E-02
 O    3.156100      0.9555000      8.8799998E-02
 N   -4.268000      -1.533500      0.2697000    
 C   -2.150700     -0.7886000     -0.7250000    
 C   -2.924300      -1.038100      0.5825000    
 C  -0.7344000     -0.3122000     -0.5081000    
 C  -0.4630000       1.044100     -0.4166000    
 C   0.2763000      -1.255900     -0.4032000    
 C   -3.063100      0.2258000       1.431200    
 C    1.590000     -0.8324000     -0.2018000    
 C   0.8507000       1.467600     -0.2153000    
 C    1.877200      0.5293000     -0.1079000    
 C   -1.070700       3.343400     -0.4111000    
 C    2.206200      -3.129300     -0.2055000    
 C    3.587600       1.108700       1.439500    
 H   -2.688400     -6.9399998E-02  -1.358100    
 H   -2.124200      -1.713700      -1.318500    
 H   -2.408900      -1.801400       1.177600    
 H  -8.7000001E-03  -2.299200     -0.4805000    
 H   -3.693500      3.1099999E-02   2.307500    
 H   -3.527400       1.044600      0.8711000    
 H   -2.096800      0.5626000       1.817600    
 H    1.141600       2.509700     -0.1346000    
 H   -4.197900      -2.367500     -0.3123000    
 H   -4.769500     -0.8427000     -0.2878000    
 H  -0.6544000       3.569900      0.5764000    
 H   -1.982400       3.941000     -0.5148000    
 H  -0.4020000       3.641400      -1.225900    
 H    1.790100      -3.357700      -1.192700    
 H    1.538100      -3.428900      0.6092000    
 H    3.119800      -3.723900     -0.1012000    
 H    2.980100       1.860700       1.953100    
 H    4.627700       1.445800       1.430800    
 H    3.533500      0.1540000       1.972300    


%chk=000031014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031014

0 1
O -1.527916 2.129491 -0.711961
O 2.616404 -1.621929 0.159996
O 3.163919 1.183943 0.229461
N -4.322490 -1.701682 0.220268
C -2.239522 -0.624805 -0.769551
C -2.999800 -1.107402 0.520971
C -0.817851 -0.158798 -0.512497
C -0.475051 1.220878 -0.468830
C 0.214460 -1.100162 -0.285394
C -3.184996 0.032194 1.540020
C 1.549019 -0.715359 -0.020542
C 0.849989 1.625253 -0.186680
C 1.865732 0.672715 0.043059
C -1.196781 3.553787 -0.725587
C 2.319544 -3.045015 0.000548
C 3.929255 0.693235 1.393679
H -2.826687 0.189406 -1.231253
H -2.226930 -1.475617 -1.481532
H -2.384101 -1.900840 0.992574
H -0.044209 -2.163100 -0.343740
H -3.683261 -0.349619 2.447702
H -3.807247 0.840408 1.108877
H -2.213057 0.473776 1.817846
H 1.144119 2.676999 -0.140359
H -4.284569 -2.480028 -0.448804
H -5.018099 -1.001561 -0.065295
H -0.819878 3.891834 0.259866
H -2.141843 4.068200 -0.955641
H -0.445049 3.786723 -1.505180
H 1.927981 -3.262387 -1.012473
H 1.594590 -3.397220 0.760843
H 3.282402 -3.558020 0.143030
H 3.389241 0.921453 2.333663
H 4.878121 1.250722 1.363591
H 4.111562 -0.390975 1.318626


