%chk=000104583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104583

0 1
 O  -0.7675000       1.095400      -1.336600    
 N   0.9183000     -6.6999998E-03 -0.1382000    
 N   -2.724300      3.1300001E-02 -0.1005000    
 C    1.821000       1.218500     -0.1453000    
 C    1.523600      -1.366700      0.2140000    
 C    3.120700       1.011400      0.6744000    
 C    3.047000      -1.347300      0.1193000    
 C    2.198100       1.571200      -1.603300    
 C    1.142500       2.447600      0.5161000    
 C    3.791400     -0.2648000      0.3455000    
 C    1.194900      -1.758800       1.667500    
 C    1.091600      -2.481900     -0.7642000    
 C  -0.4147000      0.1853000     -0.5758000    
 C   -1.505800     -0.7484000     -0.1233000    
 C   -2.607100       1.164800      0.8249000    
 C   -3.874800     -0.8003000      0.2733000    
 C   -3.877800       1.988600      0.8569000    
 C   -4.077200      -1.939200     -0.7045000    
 H    2.912400       1.019800       1.752500    
 H    3.818200       1.838700      0.4901000    
 H    3.569900      -2.281400     -7.5599998E-02
 H    2.633900      0.7113000      -2.123800    
 H    1.334700       1.896400      -2.190500    
 H    2.927500       2.388800      -1.635400    
 H    1.853100       3.273400      0.6401000    
 H   0.3152000       2.841900     -8.0300003E-02
 H   0.7467000       2.189200       1.504900    
 H    4.873900     -0.3199000      0.3244000    
 H    1.337900     -0.9149000       2.352100    
 H   0.1692000      -2.110000       1.790600    
 H    1.833700      -2.580700       2.015300    
 H   6.1900001E-02  -2.802700     -0.5969000    
 H    1.179300      -2.151200      -1.805700    
 H    1.696500      -3.390100     -0.6476000    
 H   -1.301300      -1.171000      0.8567000    
 H   -1.557000      -1.535800     -0.8774000    
 H   -2.380700      0.8197000       1.842800    
 H   -1.812000       1.862500      0.5536000    
 H   -3.776400      -1.197200       1.291600    
 H   -4.803800     -0.2234000      0.2314000    
 H   -4.239000       2.221600     -0.1507000    
 H   -4.680100       1.507200       1.424700    
 H   -3.681500       2.943900       1.357700    
 H   -4.065100      -1.589900      -1.742700    
 H   -3.327800      -2.728300     -0.5882000    
 H   -5.052600      -2.407200     -0.5293000    


%chk=000104583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104583

0 1
O -0.654765 0.384543 -1.928969
N 0.848701 -0.054484 -0.178810
N -2.584465 -0.279894 0.241993
C 1.642288 1.197770 -0.568419
C 1.534130 -1.221230 0.541620
C 2.735175 1.469806 0.507771
C 3.029624 -0.966382 0.734848
C 2.305696 1.018539 -1.962070
C 0.712234 2.442967 -0.566099
C 3.592333 0.260350 0.774533
C 0.984165 -1.423696 1.992638
C 1.413361 -2.527519 -0.300480
C -0.370133 -0.250025 -0.865186
C -1.498617 -1.142344 -0.278104
C -2.353923 0.204000 1.623277
C -3.944634 -0.801024 -0.035031
C -3.096682 1.517703 1.936532
C -4.369719 -0.597665 -1.502326
H 2.246053 1.812546 1.443607
H 3.350420 2.315303 0.149359
H 3.622871 -1.871226 0.922282
H 3.039565 0.193669 -1.950092
H 1.532115 0.807303 -2.716284
H 2.834180 1.947330 -2.248903
H 1.339230 3.350918 -0.642659
H 0.003619 2.427544 -1.405065
H 0.139885 2.497589 0.378811
H 4.662842 0.382210 0.979466
H 1.068538 -0.481039 2.560145
H -0.066374 -1.754223 2.013803
H 1.588643 -2.189631 2.512477
H 0.372571 -2.862413 -0.431730
H 1.857769 -2.374958 -1.299703
H 1.963529 -3.344281 0.202207
H -1.155435 -1.871405 0.484489
H -1.892350 -1.718298 -1.133436
H -2.620492 -0.571796 2.389361
H -1.268851 0.387787 1.726442
H -4.035628 -1.883716 0.239398
H -4.652105 -0.256424 0.615811
H -2.807828 2.294928 1.207667
H -4.194289 1.399264 1.891209
H -2.842076 1.868745 2.954352
H -4.360548 0.476806 -1.751535
H -3.678619 -1.100429 -2.202203
H -5.385407 -1.002822 -1.672391


