%chk=000093205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093205

0 1
 O    3.969500      -1.336700     -0.6283000    
 O    4.395600       2.180700     -2.2700001E-02
 O    6.177000      0.6320000      -1.369300    
 O    5.105300      -3.427500      0.8371000    
 N    2.090500     -1.2300000E-02 -4.0399998E-02
 N   0.3311000     -0.6589000       1.169800    
 N   -2.345500      0.7696000      0.9679000    
 N    1.101000       1.848900      -1.248200    
 N   -1.239900       2.162600     -0.6334000    
 C    4.435000      0.8009000      0.2789000    
 C    3.452700      6.6999998E-03 -0.5686000    
 C    5.751500      0.1488000     -9.5100001E-02
 C    5.360200      -1.319300     -0.2314000    
 C    5.497000      -2.093400       1.072200    
 C    1.068600      0.8326000     -0.3732000    
 C    1.596600     -0.8904000      0.8895000    
 C  -1.1600000E-02  0.4154000      0.3877000    
 C   -1.199600       1.123000      0.2344000    
 C   -3.593800       1.462900      0.8496000    
 C   -4.739700      0.5859000       1.375900    
 C  -0.1038000       2.456700      -1.310800    
 C   -3.502300       2.766100       1.637400    
 C   -5.188800     -0.4569000      0.3796000    
 C   -6.195200     -0.1463000     -0.5207000    
 C   -4.586300      -1.704400      0.3850000    
 C   -6.610300      -1.109300      -1.440400    
 C   -5.001300      -2.667500     -0.5349000    
 C   -6.013300      -2.369900      -1.447500    
 H    4.241300      0.6664000       1.349900    
 H    3.390400      0.3880000      -1.595300    
 H    6.553300      0.3451000      0.6224000    
 H    5.918700      -1.826400      -1.026400    
 H    4.855800      -1.688700       1.861400    
 H    6.532600      -2.091500       1.424500    
 H    3.501500       2.501800      0.1842000    
 H    6.996000      0.1607000      -1.599200    
 H    2.199200      -1.671800       1.331900    
 H   -3.796700       1.710500     -0.2008000    
 H    4.183400      -3.414900      0.5277000    
 H   -2.247200      2.1400001E-02   1.645400    
 H   -5.607400       1.214400       1.619300    
 H   -4.463500      9.9600002E-02   2.321400    
 H   -4.442900       3.324000       1.574500    
 H   -2.709400       3.419600       1.259700    
 H   -3.293900       2.575500       2.696500    
 H  -0.1723000       3.294600      -1.996300    
 H   -6.664500      0.8332000     -0.5249000    
 H   -3.798700      -1.947400       1.092300    
 H   -7.397700     -0.8775000      -2.151500    
 H   -4.536600      -3.649100     -0.5403000    
 H   -6.336300      -3.119700      -2.163800    


%chk=000093205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093205

0 1
O 4.041968 -1.672700 0.057866
O 3.800431 1.724932 -1.330559
O 5.811571 0.110228 -1.992935
O 5.800763 -2.711201 1.988554
N 1.925332 -0.579590 0.014123
N -0.021957 -1.264868 1.016085
N -2.444830 0.646093 1.134643
N 1.228791 1.721226 -0.664676
N -1.075707 2.222702 0.000811
C 4.077554 0.691169 -0.365258
C 3.267531 -0.618413 -0.590945
C 5.525062 0.176048 -0.563029
C 5.502541 -1.252014 0.016368
C 6.027639 -1.370413 1.452151
C 1.032659 0.490058 -0.088495
C 1.235515 -1.610032 0.677311
C -0.159784 0.049897 0.536019
C -1.251539 0.973543 0.568492
C -3.620378 1.545761 1.180041
C -4.909042 0.692249 1.341458
C 0.121407 2.520439 -0.573292
C -3.479445 2.588638 2.311979
C -5.150222 -0.287298 0.200708
C -5.519552 0.183194 -1.086608
C -4.997213 -1.683984 0.391031
C -5.724748 -0.716568 -2.154941
C -5.199943 -2.589600 -0.676089
C -5.563667 -2.108047 -1.953704
H 3.923534 1.029377 0.681411
H 3.177291 -0.817537 -1.678537
H 6.260319 0.825653 -0.047238
H 6.020846 -1.953386 -0.658967
H 5.552358 -0.597903 2.095856
H 7.121421 -1.226232 1.467116
H 2.795255 1.956746 -1.223477
H 5.331580 0.888282 -2.397005
H 1.707662 -2.565898 0.883059
H -3.649643 2.082616 0.213460
H 4.844338 -2.930247 1.839724
H -2.529216 -0.306586 1.499509
H -5.753849 1.402075 1.423657
H -4.858667 0.150839 2.307754
H -4.339421 3.283420 2.303041
H -2.558328 3.177650 2.169597
H -3.438970 2.097500 3.301578
H 0.209392 3.518006 -1.012915
H -5.651872 1.260139 -1.252121
H -4.727855 -2.069481 1.383293
H -6.012392 -0.336056 -3.141567
H -5.076071 -3.665493 -0.509543
H -5.723149 -2.807130 -2.782094


