%chk=000040411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040411

0 1
 O   -2.611300      -2.791800      0.1586000    
 O   -2.525400       2.665200     -0.3473000    
 O  -0.3905000       1.329900       1.866100    
 O    4.362900     -0.8043000     -0.9549000    
 O    4.382200      0.4967000      0.8132000    
 N   -1.856700     -8.0399998E-02 -7.7000000E-02
 N    3.764700     -0.1457000     -7.0200004E-02
 C   -2.600800     -0.5772000       1.062200    
 C   -2.576900      0.4394000      -1.221300    
 C  -0.4448000     -9.0000004E-02 -6.6500001E-02
 C   -3.458000      -1.768400      0.6653000    
 C   -2.190200       1.885400      -1.487600    
 C   0.2628000      0.6163000      0.9061000    
 C   0.2425000     -0.8145000      -1.040500    
 C    1.657500      0.5982000      0.9048000    
 C    1.637200     -0.8326000      -1.041900    
 C    2.344700     -0.1263000     -6.9100000E-02
 H   -3.239400      0.2156000       1.468400    
 H   -1.924800     -0.8957000       1.865600    
 H   -3.657500      0.4101000      -1.038800    
 H   -2.386300     -0.1729000      -2.109800    
 H   -4.209700      -1.528700     -9.1899998E-02
 H   -3.980600      -2.164400       1.541500    
 H   -2.752400       2.270400      -2.344400    
 H   -1.122500       2.003900      -1.696200    
 H  -0.2919000      -1.376000      -1.802400    
 H    2.182100       1.158300       1.675600    
 H    2.138900      -1.409000      -1.815000    
 H   -2.213700      -2.460500     -0.6641000    
 H   -2.278200       3.584100     -0.5476000    
 H   -1.312800       1.457200       1.589000    


%chk=000040411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040411

0 1
O -2.799643 -2.947397 0.348871
O -2.547793 2.452738 0.081802
O -0.465895 1.508615 1.513677
O 4.532799 -0.911999 -0.817295
O 4.411493 0.501000 0.969965
N -1.851643 -0.276367 -0.312978
N 3.864823 -0.200913 0.032363
C -2.598375 -0.549630 0.951381
C -2.556727 0.485000 -1.365676
C -0.418380 -0.200380 -0.265680
C -3.540712 -1.754940 0.756293
C -2.298784 2.005320 -1.314770
C 0.244545 0.645318 0.689902
C 0.370433 -0.965808 -1.161730
C 1.649855 0.618336 0.807627
C 1.774409 -0.968686 -1.088508
C 2.388532 -0.188750 -0.080363
H -3.177775 0.329845 1.296339
H -1.858241 -0.801745 1.729400
H -3.638199 0.291160 -1.258060
H -2.257212 0.131553 -2.371987
H -4.334221 -1.512713 0.014205
H -4.029619 -2.008102 1.712718
H -2.985075 2.525852 -2.010083
H -1.251016 2.237860 -1.590604
H -0.142131 -1.598025 -1.895865
H 2.155382 1.245700 1.545171
H 2.391724 -1.572594 -1.756968
H -2.150205 -2.647045 -0.342189
H -2.582806 3.439319 0.129073
H -1.348443 1.779778 1.083867


