%chk=000044951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044951

0 1
 O   -1.328300      0.3289000     -0.7887000    
 O   -1.516600      0.9368000       1.437100    
 N   3.5000001E-03  -2.015700      1.5000000E-02
 N   -3.431900      0.6406000      0.1512000    
 C   0.7045000     -0.8135000     -0.2237000    
 C    2.794600      0.3968000     -0.2961000    
 C    2.089500     -0.7836000     -6.0699999E-02
 C   5.9900001E-02  0.3375000     -0.6181000    
 C    4.275100      0.4297000     -0.1198000    
 C    2.114300       1.547400     -0.6951000    
 C   0.7291000       1.517600     -0.8583000    
 C    4.682400      0.8131000       1.300600    
 C   4.9300000E-02  -2.643400       1.319700    
 C  -0.7806000      -2.627800      -1.038100    
 C   -2.048700      0.6603000      0.3626000    
 C   -4.343200      0.9604000       1.240700    
 C   -4.053000      0.3147000      -1.128400    
 H    2.624400      -1.679700      0.2459000    
 H    4.704100     -0.5487000     -0.3698000    
 H    4.720900       1.137700     -0.8297000    
 H    2.651500       2.474000     -0.8801000    
 H   0.2002000       2.413100      -1.169200    
 H  -5.6200001E-02  -1.899400       2.117000    
 H   0.9957000      -3.175600       1.459600    
 H  -0.7641000      -3.367300       1.439800    
 H  -0.7364000      -3.720100     -0.9673000    
 H  -0.4099000      -2.353300      -2.032100    
 H   -1.830400      -2.327500     -0.9606000    
 H    4.306800       1.807200       1.565600    
 H    5.773200      0.8264000       1.390200    
 H    4.289300      9.8600000E-02   2.031700    
 H   -4.944800       1.827500      0.9534000    
 H   -3.805000       1.191100       2.163400    
 H   -4.997600      0.1016000       1.415900    
 H   -4.652800       1.170200      -1.452900    
 H   -4.703000     -0.5540000     -0.9891000    
 H   -3.320200      8.4399998E-02  -1.903900    


%chk=000044951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044951

0 1
O -1.397847 0.410256 -0.813214
O -1.677864 0.985665 1.469266
N -0.098221 -1.956937 0.278298
N -3.523214 0.704590 0.040350
C 0.647963 -0.818857 -0.106188
C 2.828207 0.376810 -0.292064
C 2.063437 -0.760838 0.059195
C 0.023604 0.354451 -0.635623
C 4.330647 0.397725 -0.041067
C 2.170969 1.499270 -0.852271
C 0.768531 1.479883 -1.015646
C 4.680994 0.890017 1.389249
C 0.523626 -2.933825 1.179890
C -1.091825 -2.542222 -0.642719
C -2.176644 0.723519 0.349953
C -4.491054 1.003084 1.106521
C -4.069306 0.439605 -1.298626
H 2.586128 -1.638168 0.455668
H 4.753246 -0.615542 -0.185507
H 4.824436 1.057401 -0.780082
H 2.745620 2.384969 -1.145578
H 0.231378 2.346465 -1.415322
H 1.031219 -2.416388 2.011329
H 1.260730 -3.601603 0.674092
H -0.268308 -3.573876 1.609009
H -0.629048 -3.299706 -1.316237
H -1.546833 -1.757151 -1.261919
H -1.892499 -3.040637 -0.064256
H 4.301934 1.914428 1.555797
H 5.775062 0.894456 1.550344
H 4.220813 0.236888 2.152655
H -5.076775 1.909990 0.859381
H -3.943492 1.172657 2.045445
H -5.192499 0.157088 1.241566
H -4.693718 1.292384 -1.630573
H -4.703660 -0.468889 -1.288403
H -3.250136 0.299037 -2.015013


