%chk=000021994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021994

0 1
 O   -3.677800      0.2021000     -2.7600000E-02
 O    3.795100       2.849400       1.247000    
 O    3.908200       3.042300      -1.005600    
 O   -7.134800      0.7140000     -8.2000000E-03
 O   -5.447000       2.120800     -0.1094000    
 N    1.258000      -1.157400     -2.6699999E-02
 N   -5.889000      0.9368000     -3.8100000E-02
 C    3.417700     -8.8299997E-02 -2.3499999E-02
 C    2.602000      -1.239200     -2.6400000E-02
 C    2.790500       1.164900     -2.0900000E-02
 C   0.6919000      7.1199998E-02 -2.4200000E-02
 C    1.405800       1.252400     -2.1299999E-02
 C    4.817600     -0.2106000     -2.3100000E-02
 C    3.225600      -2.483800     -2.8800000E-02
 C  -0.7618000      9.9699996E-02 -2.4900001E-02
 C    5.414700      -1.467900     -2.5699999E-02
 C    4.617400      -2.605700     -2.8600000E-02
 C   -3.037700     -0.9605000      2.8600000E-02
 C   -1.564600     -0.9905000      9.7000003E-03
 C    3.537700       2.419100     -1.7800000E-02
 C   -3.833200      -2.036600      9.9200003E-02
 C   -4.994000     -0.1335000      8.9999996E-03
 C   -5.142300      -1.498800      8.7099999E-02
 H   0.9090000       2.218100     -1.9400001E-02
 H    5.466700      0.6615000     -2.1100000E-02
 H    2.623300      -3.390500     -3.0999999E-02
 H   -1.218000       1.087300     -4.5600001E-02
 H    6.496600      -1.558800     -2.5400000E-02
 H    5.074800      -3.590800     -3.0500000E-02
 H   -1.123800      -1.984900      3.7000000E-02
 H   -3.553500      -3.079200      0.1534000    
 H   -6.074400      -2.044800      0.1302000    
 H    4.297800       3.691800       1.250700    


%chk=000021994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021994

0 1
O -3.637319 0.222338 0.095759
O 2.782557 3.566878 0.250030
O 4.886931 2.612421 0.194658
O -7.186415 0.725753 0.143793
O -5.451963 2.239293 0.231327
N 1.323392 -1.231615 -0.020484
N -5.922840 1.036496 0.157847
C 3.558866 -0.111624 0.032522
C 2.701630 -1.291206 -0.033040
C 2.886459 1.169210 0.113854
C 0.725370 -0.012280 0.056426
C 1.486380 1.202165 0.124737
C 4.978786 -0.299385 0.011532
C 3.295529 -2.594580 -0.115902
C -0.739227 0.055017 0.069439
C 5.522802 -1.585286 -0.070182
C 4.681640 -2.741080 -0.134435
C -2.979472 -1.030811 0.014554
C -1.544159 -1.056565 0.004811
C 3.641333 2.458024 0.186674
C -3.948222 -2.049951 -0.043146
C -5.005933 -0.061520 0.085329
C -5.236431 -1.433185 0.001416
H 0.970797 2.163532 0.186144
H 5.627607 0.577307 0.060880
H 2.617821 -3.451961 -0.163398
H -1.194239 1.050917 0.134358
H 6.611117 -1.709373 -0.084991
H 5.130746 -3.737922 -0.198094
H -1.068512 -2.041964 -0.059384
H -3.736506 -3.115135 -0.109958
H -6.213364 -1.908201 -0.023142
H 3.333339 4.393893 0.298166


