%chk=000113858.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113858

0 1
 O    4.220500     -0.2834000      -1.630200    
 N    4.156800      0.2144000       2.060700    
 C  -0.4838000      0.4163000     -0.1129000    
 C   0.2333000     -0.8084000     -0.1392000    
 C    2.354500      0.3751000     -0.3029000    
 C   -1.920100      0.3872000     -1.5799999E-02
 C    3.841800      0.3480000     -0.3996000    
 C    1.635500     -0.8141000     -0.2333000    
 C   -2.584300     -0.8654000      5.0999999E-02
 C   0.2847000       1.605200     -0.1858000    
 C    1.678900       1.585300     -0.2792000    
 C  -0.4562000      -2.021600     -7.1300000E-02
 C   -1.843700      -2.049800      2.2399999E-02
 C    4.490800     -0.4039000      0.7797000    
 C   -2.738600       1.544000      1.8800000E-02
 C   -3.985100     -0.9279000      0.1463000    
 C   -4.130900       1.467700      0.1137000    
 C   -4.754200      0.2312000      0.1775000    
 H    4.241700       1.369200     -0.4380000    
 H    2.163800      -1.765800     -0.2638000    
 H  -0.1904000       2.582700     -0.1711000    
 H    2.217300       2.527900     -0.3313000    
 H   8.0899999E-02  -2.968200     -9.0400003E-02
 H   -2.340300      -3.016900      7.2999999E-02
 H    5.580200     -0.3954000      0.6552000    
 H    4.208100      -1.462400      0.7934000    
 H   -2.305800       2.540000     -2.7899999E-02
 H   -4.493700      -1.889000      0.1975000    
 H   -4.722800       2.378100      0.1374000    
 H   -5.835500      0.1667000      0.2513000    
 H    5.192000     -0.2810000      -1.671700    
 H    3.154200      0.1495000       2.229900    
 H    4.374800       1.209500       2.028100    


%chk=000113858-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113858

0 1
O 4.263889 -1.002631 -1.291376
N 4.283602 1.048314 1.943974
C -0.493094 0.311680 -0.108558
C 0.179336 -0.937991 -0.373172
C 2.371435 0.193462 -0.385830
C -1.952793 0.327446 0.027991
C 3.886236 0.143505 -0.444941
C 1.600157 -0.971344 -0.503111
C -2.683684 -0.909765 -0.109036
C 0.311635 1.486604 -0.003907
C 1.705436 1.432314 -0.139335
C -0.595281 -2.153000 -0.505072
C -1.970152 -2.139253 -0.377922
C 4.523831 -0.029598 0.984619
C -2.695903 1.518937 0.294602
C -4.106983 -0.910521 0.022153
C -4.092157 1.496662 0.419789
C -4.807890 0.272711 0.282764
H 4.273757 1.091022 -0.883168
H 2.101976 -1.919555 -0.721514
H -0.158991 2.457999 0.176495
H 2.291048 2.357527 -0.081850
H -0.062394 -3.088848 -0.709959
H -2.549003 -3.064975 -0.479361
H 5.621264 -0.142564 0.857244
H 4.146707 -0.981306 1.403164
H -2.174971 2.475026 0.406316
H -4.644928 -1.860122 -0.085730
H -4.636118 2.425522 0.624082
H -5.898792 0.261483 0.381246
H 5.244280 -1.134966 -1.233878
H 3.313826 1.147288 2.253624
H 4.729120 1.943736 1.731156


