%chk=000049072.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049072

0 1
 O   -1.034100     -0.7401000      3.6899999E-02
 O    3.455000       1.279300      -1.868100    
 O    4.636900       1.761000      0.1761000    
 O  -0.6739000      0.7002000       1.784900    
 N  -0.9508000      -3.583600     -0.4177000    
 C   0.1034000      -1.509400      0.4487000    
 C   0.2452000      -2.745300     -0.4613000    
 C    1.316100     -0.6406000      0.4126000    
 C    1.756000     -0.1139000     -0.8041000    
 C    2.005800     -0.3595000       1.605300    
 C    2.881800      0.6837000     -0.7869000    
 C    3.556800      0.9587000      0.3802000    
 C    3.143300      0.4513000       1.594800    
 C   -1.182300      -4.075700      0.9404000    
 C  -0.8264000      -4.702800      -1.351400    
 C    4.566000       1.960600      -1.250500    
 C   -1.320800      0.3572000      0.8008000    
 C   -2.497900       1.056700      0.2836000    
 C   -2.611100       2.431700      0.4546000    
 C   -3.490800      0.3395000     -0.3739000    
 C   -3.732700       3.098600     -3.8500000E-02
 C   -4.612300       1.006600     -0.8670000    
 C   -4.733200       2.386100     -0.6993000    
 H  -5.9900001E-02  -1.832400       1.483400    
 H    1.143100      -3.314900     -0.1851000    
 H   0.3777000      -2.415000      -1.499100    
 H    1.235200     -0.3038000      -1.736100    
 H    1.667100     -0.7728000       2.552200    
 H    3.678600      0.6694000       2.511900    
 H  -0.2911000      -4.542200       1.375800    
 H   -1.983000      -4.825600      0.9425000    
 H   -1.539000      -3.284700       1.606700    
 H   1.4400000E-02  -5.359800      -1.100400    
 H  -0.6861000      -4.338300      -2.375200    
 H   -1.743300      -5.303000      -1.358400    
 H    4.474200       3.034400      -1.450500    
 H    5.495900       1.596800      -1.702400    
 H   -1.838300       3.000500      0.9645000    
 H   -3.430100     -0.7371000     -0.5076000    
 H   -3.826700       4.172700      9.1499999E-02
 H   -5.393200      0.4517000      -1.379000    
 H   -5.606800       2.905200      -1.082700    


%chk=000049072-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049072

0 1
O -0.721571 -0.253525 0.117347
O 3.770775 1.237663 -2.220155
O 5.414432 1.245539 -0.473085
O -1.945753 -0.510515 2.094585
N -1.071603 -3.180689 0.154996
C 0.347870 -1.151653 0.650903
C 0.217457 -2.511320 -0.081706
C 1.690944 -0.491246 0.403485
C 1.981595 0.074839 -0.873789
C 2.664102 -0.476393 1.431428
C 3.244484 0.637459 -1.046243
C 4.213536 0.643146 -0.018230
C 3.955176 0.088520 1.235987
C -1.215264 -3.729243 1.518630
C -1.403701 -4.164421 -0.894151
C 5.077983 1.812114 -1.807036
C -1.853900 -0.074445 0.918910
C -2.908122 0.721718 0.223657
C -4.096024 1.021152 0.939801
C -2.754018 1.177374 -1.111080
C -5.121298 1.769304 0.326042
C -3.782057 1.926594 -1.721327
C -4.966364 2.223941 -1.005604
H 0.170492 -1.274446 1.734046
H 1.095427 -3.137266 0.228431
H 0.322900 -2.323621 -1.166561
H 1.233458 0.089831 -1.670044
H 2.415884 -0.901692 2.410151
H 4.705657 0.098282 2.030054
H -0.430869 -4.488618 1.768461
H -2.203737 -4.211881 1.613359
H -1.178730 -2.915580 2.262303
H -0.709434 -5.042634 -0.923435
H -1.380286 -3.676537 -1.884935
H -2.426387 -4.547735 -0.728235
H 4.977243 2.910272 -1.715950
H 5.849098 1.507072 -2.530747
H -4.192136 0.658585 1.968539
H -1.835012 0.938789 -1.652944
H -6.037530 1.998838 0.880791
H -3.662588 2.278225 -2.751966
H -5.763429 2.805602 -1.482483


