%chk=000054076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054076

0 1
 O   -1.912300      -2.143000      -3.150000    
 O   -6.047900     -0.3102000       1.271900    
 O    2.061700       1.196200     -0.7206000    
 O   5.5199999E-02  -1.345100       1.611100    
 N   -2.722500      3.1099999E-02 -0.2843000    
 N   0.4088000      0.9131000       1.230300    
 C   -1.909000       1.192200     -0.6242000    
 C   -1.647700       2.084200      0.5913000    
 C   -2.954100     -0.8004000      -1.466700    
 C   -3.998300      0.4488000      0.3001000    
 C  -0.8935000       1.362900       1.709800    
 C   -1.639100      -1.329600      -2.016700    
 C   -4.829500     -0.7615000      0.6952000    
 C   0.7642000     -0.4188000       1.226700    
 C    2.134500     -0.7106000      0.7323000    
 C    2.712300      0.1107000     -0.2145000    
 C    2.789600      -1.812100       1.246400    
 C    3.999400     -0.1812000     -0.6664000    
 C    4.076500      -2.103900      0.7944000    
 C    4.681300      -1.288500     -0.1621000    
 C    2.840100       2.299200      -1.137200    
 C    2.030200       3.566700     -0.9666000    
 H  -0.9300000      0.9107000      -1.019500    
 H   -2.396900       1.796900      -1.400600    
 H   -1.030000       2.926600      0.2494000    
 H   -2.558400       2.549600      0.9805000    
 H   -3.501100     -0.2588000      -2.249900    
 H   -3.540300      -1.695900      -1.243800    
 H   -4.569200       1.089900     -0.3849000    
 H   -3.864500       1.022700       1.222200    
 H   -1.469200      0.5263000       2.116600    
 H  -0.6983000       2.063000       2.529000    
 H   -1.111900      -1.936300      -1.272600    
 H  -0.9719000     -0.5432000      -2.374500    
 H   -4.310900      -1.379300       1.435400    
 H   -5.127800      -1.394500     -0.1421000    
 H    1.078700       1.628800      0.9707000    
 H   -1.059600      -2.483600      -3.470500    
 H   -6.517400      0.2118000      0.5989000    
 H    2.336000      -2.454700       1.995300    
 H    4.496400      0.4098000      -1.429900    
 H    4.607600      -2.966200       1.186800    
 H    5.681000      -1.520000     -0.5182000    
 H    3.110600       2.176000      -2.191800    
 H    3.752500       2.411100     -0.5380000    
 H    2.591800       4.439000      -1.312700    
 H    1.092600       3.504500      -1.529100    
 H    1.761500       3.717300      8.3999999E-02


%chk=000054076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054076

0 1
O -2.838525 -3.854383 -0.837988
O -6.738126 0.660334 0.956287
O 2.923759 1.960266 0.020862
O 0.400639 -1.465366 0.369735
N -3.339984 -0.148069 -0.540942
N 0.550062 0.850513 0.576502
C -2.262698 0.716667 -1.078380
C -1.733116 1.723549 -0.028914
C -3.386371 -1.521869 -1.103985
C -4.655031 0.508083 -0.411887
C -0.831521 1.058847 1.041712
C -2.689022 -2.534937 -0.184792
C -5.428143 -0.001498 0.822503
C 1.081691 -0.386498 0.287142
C 2.537370 -0.435543 -0.140595
C 3.431112 0.673939 -0.268688
C 3.044745 -1.726315 -0.435409
C 4.774275 0.476713 -0.673284
C 4.377972 -1.932771 -0.839714
C 5.243738 -0.823373 -0.957397
C 3.820755 3.131018 -0.086613
C 2.997173 4.360610 0.287987
H -1.427506 0.064817 -1.392657
H -2.599009 1.273139 -1.988528
H -1.167224 2.528841 -0.540860
H -2.588729 2.211477 0.477486
H -2.913719 -1.568837 -2.108507
H -4.439587 -1.837454 -1.237763
H -5.288323 0.364083 -1.326410
H -4.515709 1.598377 -0.296605
H -1.254754 0.078048 1.317468
H -0.799332 1.689340 1.951659
H -3.188590 -2.534238 0.807044
H -1.624898 -2.265397 -0.048886
H -4.880968 0.258755 1.742069
H -5.543188 -1.105294 0.783798
H 1.178993 1.657448 0.477428
H -2.170337 -4.475956 -0.457529
H -7.289182 0.437117 0.163670
H 2.340744 -2.558265 -0.328997
H 5.458353 1.324022 -0.770054
H 4.737368 -2.942916 -1.059487
H 6.284715 -0.962042 -1.269813
H 4.200347 3.201581 -1.125233
H 4.677562 2.993817 0.602390
H 3.626284 5.266388 0.220821
H 2.140394 4.484232 -0.396570
H 2.616737 4.280699 1.320825


