%chk=000127429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127429

0 1
 O    8.576000     -0.2537000      0.1796000    
 N    7.309700     -0.8373000      0.3265000    
 C   -5.943800      0.6374000      0.5456000    
 C   -7.290900     -0.1293000      0.4442000    
 C   -7.131100      -1.612200      0.7277000    
 C   -4.798900     -0.1279000     -0.1590000    
 C   -6.175100      -2.235000     -0.2785000    
 C   -4.926200      -1.420800     -0.5506000    
 C   -5.590200      0.8373000       2.037400    
 C   -6.194700       2.026300     -9.0999998E-02
 C   -3.567400      0.6205000     -0.3511000    
 C   -3.882700      -2.226000      -1.290100    
 C   -2.348100      8.9000002E-02 -0.1659000    
 C   -1.068300      0.7766000     -0.3403000    
 C   -1.110100       2.225300     -0.7704000    
 C   0.1368000      0.1990000     -0.1416000    
 C    1.456300      0.7877000     -0.2859000    
 C    2.585800      9.5700003E-02 -5.5100001E-02
 C    3.961900      0.5931000     -0.1705000    
 C    4.141300       2.029200     -0.5917000    
 C    4.965100     -0.2632000      0.1060000    
 C    6.411000      4.9400002E-02  4.4500001E-02
 C    9.553100      -1.235400      0.4913000    
 C    10.93040     -0.6258000      0.3389000    
 H   -8.027700      0.2961000       1.137500    
 H   -7.714600     -1.1100000E-02 -0.5630000    
 H   -6.761700      -1.771500       1.747100    
 H   -8.104400      -2.112800      0.6671000    
 H   -6.701000      -2.384000      -1.230400    
 H   -5.894900      -3.229900      8.9699998E-02
 H   -5.367900     -0.1129000       2.535100    
 H   -4.710700       1.480500       2.158200    
 H   -6.415400       1.313600       2.579000    
 H   -7.108700       2.480400      0.3107000    
 H   -5.383100       2.732100      0.1165000    
 H   -6.312600       1.951300      -1.178200    
 H   -3.669600       1.641500     -0.6994000    
 H   -3.206700      -1.616700      -1.895000    
 H   -4.370400      -2.899900      -2.005200    
 H   -3.308100      -2.845600     -0.5947000    
 H   -2.247500     -0.9247000      0.2154000    
 H   -1.685800       2.813700     -4.5699999E-02
 H  -0.1536000       2.736100     -0.8681000    
 H   -1.599700       2.310500      -1.747900    
 H   0.1414000     -0.8470000      0.1678000    
 H    1.536100       1.821000     -0.5925000    
 H    2.491400     -0.9461000      0.2523000    
 H    5.183100       2.345800     -0.6596000    
 H    3.701300       2.196400      -1.581300    
 H    3.659100       2.702500      0.1260000    
 H    4.746800      -1.287000      0.4043000    
 H    6.699800       1.068700     -0.2524000    
 H    9.447100      -2.088700     -0.1882000    
 H    9.411700      -1.580900       1.521700    
 H    11.70950      -1.356900      0.5721000    
 H    11.08080     -0.2631000     -0.6834000    
 H    11.04580      0.2374000       1.002800    


%chk=000127429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127429

0 1
O 8.678555 -0.303689 0.180592
N 7.324477 -0.836786 0.290547
C -6.007200 0.599096 0.529312
C -7.332391 -0.217887 0.477511
C -7.127229 -1.701061 0.828302
C -4.827858 -0.183814 -0.122860
C -6.200703 -2.333532 -0.224233
C -4.955713 -1.504496 -0.516522
C -5.648752 0.929788 2.009059
C -6.269872 1.937129 -0.227776
C -3.587498 0.594766 -0.296205
C -3.916021 -2.269034 -1.319866
C -2.290342 0.135775 -0.179354
C -1.082664 0.933743 -0.353207
C -1.219579 2.398281 -0.731134
C 0.150851 0.310329 -0.165937
C 1.462691 0.891405 -0.288390
C 2.632080 0.174591 -0.076127
C 3.985234 0.690930 -0.181768
C 4.182467 2.149603 -0.560127
C 5.042119 -0.180521 0.069888
C 6.449741 0.127524 0.019317
C 9.636183 -1.393847 0.483172
C 11.034685 -0.789090 0.366280
H -8.064331 0.255740 1.160956
H -7.758288 -0.152875 -0.545463
H -6.673678 -1.795441 1.833983
H -8.096049 -2.234922 0.859197
H -6.760552 -2.488976 -1.173331
H -5.879987 -3.347236 0.095347
H -5.552047 0.011172 2.615946
H -4.686152 1.469517 2.071197
H -6.432113 1.565812 2.464545
H -7.214509 2.384338 0.135859
H -5.473753 2.684889 -0.062022
H -6.368546 1.766826 -1.315729
H -3.720191 1.668616 -0.484383
H -3.222383 -1.604347 -1.859893
H -4.425282 -2.921589 -2.056434
H -3.309088 -2.940385 -0.678374
H -2.127421 -0.914539 0.098367
H -1.797356 2.949934 0.035421
H -0.245390 2.899222 -0.837919
H -1.763744 2.510005 -1.688215
H 0.128234 -0.756330 0.109557
H 1.538760 1.950893 -0.563656
H 2.539035 -0.887284 0.199782
H 5.243885 2.438654 -0.599628
H 3.740320 2.360380 -1.552375
H 3.680950 2.814348 0.168439
H 4.804039 -1.219423 0.337609
H 6.805305 1.136419 -0.238234
H 9.479317 -2.217244 -0.239334
H 9.432962 -1.774085 1.502289
H 11.795051 -1.560680 0.585157
H 11.213712 -0.403308 -0.652291
H 11.165727 0.041394 1.081455


