%chk=000012428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012428

0 1
 O   0.2346000      0.1966000     -5.6600001E-02
 O  -0.4933000      -1.325900      -1.622200    
 N    1.571800      -2.053400       1.242800    
 N    2.291600       2.189500      0.3267000    
 C    1.598600     -0.1200000     -0.3724000    
 C    1.779700      -1.640800     -0.1401000    
 C    2.516200      0.7567000      0.5123000    
 C    1.797900      0.2100000      -1.874200    
 C    3.214400     -8.6000003E-03  -2.397200    
 C    1.715000      -3.504500       1.374800    
 C   0.2529000      -1.628700       1.715100    
 C    3.230200       2.963600       1.138400    
 C   0.9129000       2.539400      0.6668000    
 C  -0.7016000     -0.4851000     -0.7614000    
 C   -2.063900     -6.7100003E-02 -0.3439000    
 C   -3.088500     -0.1153000      -1.266800    
 C   -2.262700      0.3567000      0.9540000    
 C   -4.368200      0.2776000     -0.8745000    
 C   -3.542300      0.7494000       1.346300    
 C   -4.595100      0.7099000      0.4320000    
 H    2.829200      -1.871900     -0.3668000    
 H    1.217300      -2.283600     -0.8200000    
 H    2.355000      0.5093000       1.570000    
 H    3.563800      0.5095000      0.3029000    
 H    1.163100     -0.3693000      -2.545700    
 H    1.508200       1.251000      -2.068000    
 H    3.255200      0.2478000      -3.461800    
 H    3.529300      -1.051200      -2.304000    
 H    3.942900      0.6277000      -1.888100    
 H   0.9588000      -4.050600      0.7991000    
 H    1.633300      -3.806200       2.425000    
 H    2.706000      -3.826400       1.035600    
 H   7.6499999E-02  -2.100500       2.693500    
 H  -0.5751000      -1.986700       1.103000    
 H   0.2456000     -0.5754000       1.987400    
 H    4.264300       2.716200      0.8735000    
 H    3.096200       2.783600       2.211400    
 H    3.111100       4.036500      0.9500000    
 H   0.2330000       2.398000     -0.1776000    
 H   0.8389000       3.618900      0.8580000    
 H   0.5461000       2.049400       1.575600    
 H   -2.923300     -0.4466000      -2.287600    
 H   -1.479400      0.4383000       1.693100    
 H   -5.187700      0.2482000      -1.586700    
 H   -3.718300       1.093500       2.361400    
 H   -5.591000       1.017700      0.7370000    


%chk=000012428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012428

0 1
O -0.031250 0.118403 -0.134072
O -0.909062 -1.200918 -1.872271
N 1.717756 -2.206198 1.200526
N 2.370195 2.046532 0.425432
C 1.448146 -0.205938 -0.396089
C 1.693221 -1.731417 -0.204657
C 2.190484 0.601228 0.698067
C 1.792260 0.244340 -1.840037
C 3.302893 0.256422 -2.162300
C 2.482983 -3.463441 1.338499
C 0.376208 -2.318365 1.814803
C 3.504345 2.605748 1.191087
C 1.147939 2.858029 0.605589
C -1.060225 -0.402533 -0.910472
C -2.395138 0.105267 -0.453648
C -3.546972 -0.334273 -1.156913
C -2.536058 0.995654 0.642827
C -4.826695 0.112213 -0.768626
C -3.818979 1.439026 1.029210
C -4.965599 0.999849 0.325442
H 2.694347 -1.930176 -0.630213
H 0.960075 -2.288533 -0.832470
H 1.681143 0.408734 1.671175
H 3.193778 0.148194 0.791086
H 1.253385 -0.407083 -2.550379
H 1.407020 1.272169 -1.966898
H 3.454169 0.575993 -3.209571
H 3.770475 -0.740246 -2.055810
H 3.830319 0.973220 -1.510785
H 2.032941 -4.324335 0.781217
H 2.538595 -3.744922 2.405675
H 3.514708 -3.320102 0.969721
H 0.481846 -2.636648 2.867599
H -0.281164 -3.058383 1.291896
H -0.130913 -1.340950 1.797786
H 4.429869 2.049230 0.956442
H 3.354179 2.572288 2.300524
H 3.658401 3.661477 0.903179
H 0.342687 2.484774 -0.044910
H 1.363930 3.907042 0.333065
H 0.769064 2.844141 1.660834
H -3.413049 -1.020769 -1.999432
H -1.643044 1.328388 1.179038
H -5.713272 -0.228233 -1.314563
H -3.926379 2.125478 1.876260
H -5.960361 1.346824 0.627236


