%chk=000049081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049081

0 1
 O   -4.150700       2.184100     -7.7200003E-02
 O   -5.529500      0.8549000       1.214600    
 O    2.500300     -0.7463000      0.1202000    
 O    4.043300      -1.900400       1.379800    
 N   -2.210500      -1.753100     -0.4217000    
 C   -4.076200     -0.1257000     -0.4347000    
 C   -2.806200     -0.6052000      0.2773000    
 C   -5.088300      -1.260100     -0.5832000    
 C   -4.433200      -2.473800      -1.233200    
 C   -3.154700      -2.876600     -0.4973000    
 C  -0.9727000      -2.168300      0.2379000    
 C   -4.684200       1.001600      0.3421000    
 C   0.1682000      -1.228100     -0.1373000    
 C    1.476900      -1.648200      0.5180000    
 C   -4.646400       3.351700      0.5855000    
 C   -3.961000       4.573200      1.0900000E-02
 C    3.741600     -0.9883000      0.6257000    
 C    4.715400      2.0500001E-02  0.1376000    
 C    6.049400     -4.6100002E-02  0.5398000    
 C    4.296600       1.034800     -0.7236000    
 C    6.964500      0.9014000      8.1100002E-02
 C    5.211800       1.982300      -1.182400    
 C    6.545600       1.915600     -0.7800000    
 H   -3.826200      0.2373000      -1.441200    
 H   -2.107500      0.2379000      0.3113000    
 H   -3.035800     -0.8613000       1.321500    
 H   -5.486300      -1.556500      0.3961000    
 H   -5.946100     -0.9316000      -1.182200    
 H   -4.198600      -2.245400      -2.280700    
 H   -5.136800      -3.314000      -1.239900    
 H   -2.700400      -3.710900      -1.045800    
 H   -3.405500      -3.243400      0.5069000    
 H  -0.6877000      -3.172800     -0.1021000    
 H   -1.093600      -2.229900       1.327100    
 H   0.3021000      -1.205400      -1.226800    
 H  -3.8800001E-02 -0.1934000      0.1578000    
 H    1.745100      -2.664000      0.2042000    
 H    1.374100      -1.625200       1.609300    
 H   -4.435900       3.279500       1.658400    
 H   -5.728600       3.427500      0.4313000    
 H   -2.876000       4.503200      0.1414000    
 H   -4.147400       4.649000      -1.065400    
 H   -4.317100       5.486100      0.4963000    
 H    6.395900     -0.8283000       1.210000    
 H    3.268300       1.124500      -1.062300    
 H    8.003200      0.8497000      0.3942000    
 H    4.886300       2.772300      -1.853000    
 H    7.258100       2.653400      -1.137200    


%chk=000049081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049081

0 1
O -4.694950 2.344525 -0.274079
O -4.643647 1.247068 1.781062
O 2.714867 -0.861540 0.032463
O 4.294668 -2.448411 0.678021
N -2.152904 -1.697422 -0.348976
C -3.924978 0.058575 -0.263491
C -2.655782 -0.526019 0.409196
C -5.023712 -1.038729 -0.363169
C -4.460588 -2.276249 -1.093341
C -3.172364 -2.776885 -0.411797
C -0.853082 -2.198700 0.161241
C -4.441473 1.238121 0.542493
C 0.317944 -1.222478 -0.091687
C 1.655406 -1.890993 0.229234
C -5.245319 3.555457 0.414352
C -5.453593 4.616567 -0.661184
C 4.023435 -1.281437 0.297250
C 5.020697 -0.194589 0.074274
C 6.388777 -0.487865 0.312792
C 4.639805 1.100942 -0.362814
C 7.368375 0.506653 0.116202
C 5.624012 2.092821 -0.558254
C 6.987826 1.798764 -0.319542
H -3.666917 0.404290 -1.279654
H -1.868974 0.247967 0.433581
H -2.903295 -0.789099 1.468953
H -5.345174 -1.314753 0.660601
H -5.909173 -0.642929 -0.894483
H -4.230654 -2.017757 -2.144686
H -5.212494 -3.088119 -1.102048
H -2.746299 -3.621479 -0.984785
H -3.423769 -3.159633 0.613172
H -0.641777 -3.149410 -0.367524
H -0.903828 -2.443048 1.255201
H 0.297447 -0.906253 -1.150225
H 0.220446 -0.314501 0.531074
H 1.869312 -2.745824 -0.439254
H 1.706959 -2.252513 1.273679
H -4.523279 3.870789 1.189243
H -6.185966 3.270108 0.919398
H -4.500838 4.865604 -1.158905
H -6.165299 4.266342 -1.428194
H -5.859203 5.538007 -0.204808
H 6.657548 -1.494791 0.649074
H 3.582625 1.313815 -0.543669
H 8.423634 0.278561 0.300925
H 5.330815 3.092936 -0.895562
H 7.749530 2.571717 -0.472252


