%chk=000127168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127168

0 1
 O   0.7441000       1.357200      0.5319000    
 O    1.981100      0.8489000      -1.348300    
 N   -3.151300      0.5743000     -0.6019000    
 C   -1.424000      0.4685000       1.202500    
 C  -0.2588000      0.3920000      0.1386000    
 C   -2.731300     -0.1288000      0.6170000    
 C  -0.7607000      0.9053000      -1.240600    
 C   -2.158200      0.4469000      -1.670200    
 C   -1.079700     -0.2836000       2.508700    
 C   -1.699800       1.942500       1.620300    
 C   0.4413000     -0.9805000      6.6699997E-02
 C   -4.456500      9.3300000E-02  -1.053900    
 C   6.4099997E-02  -1.900400     -0.9082000    
 C    1.447000      -1.293700      0.9774000    
 C    1.813400       1.478300     -0.3129000    
 C   0.6969000      -3.141800     -0.9730000    
 C    2.080000      -2.535000      0.9126000    
 C    2.760500       2.519100      0.2369000    
 C    1.704900      -3.459100     -6.2600002E-02
 C    3.986900       2.696600     -0.6411000    
 H   -2.603800      -1.201400      0.4182000    
 H   -3.524300     -4.5100000E-02   1.372400    
 H  -9.5700003E-02  0.6443000      -2.070200    
 H  -0.7751000       2.005400      -1.225300    
 H   -2.463100       1.086400      -2.509600    
 H   -2.162000     -0.5679000      -2.071600    
 H   -1.874500     -0.1473000       3.252800    
 H  -0.9896000      -1.363400       2.353500    
 H  -0.1558000      9.2500001E-02   2.960100    
 H   -2.572900       2.005100       2.280700    
 H  -0.8530000       2.369700       2.169500    
 H   -1.895700       2.589600      0.7598000    
 H   -4.441300     -0.9740000      -1.302600    
 H   -4.787600      0.6495000      -1.938000    
 H   -5.215300      0.2559000     -0.2805000    
 H  -0.6974000      -1.719600      -1.646000    
 H    1.761000     -0.5976000       1.749700    
 H   0.4070000      -3.861400      -1.733200    
 H    2.864600      -2.782400       1.621600    
 H    2.224100       3.471000      0.3092000    
 H    3.074200       2.206500       1.238500    
 H    2.198000      -4.425400     -0.1132000    
 H    3.705000       3.014700      -1.650300    
 H    4.653300       3.453800     -0.2168000    
 H    4.545700       1.759000     -0.7295000    


%chk=000127168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127168

0 1
O 0.812155 1.336825 0.470145
O 2.142936 1.052182 -1.445952
N -3.203963 0.494621 -0.580499
C -1.382675 0.515982 1.151159
C -0.271423 0.361633 0.020802
C -2.677577 -0.172114 0.629193
C -0.838007 0.869866 -1.340006
C -2.259230 0.377427 -1.708678
C -0.983099 -0.151882 2.489754
C -1.686135 2.014477 1.430128
C 0.381148 -1.037289 -0.030019
C -4.562372 0.052601 -0.940199
C -0.002325 -2.021784 -0.974870
C 1.407019 -1.375201 0.894793
C 1.937044 1.572400 -0.327866
C 0.603192 -3.298944 -0.989225
C 2.016384 -2.646190 0.882439
C 2.858634 2.560269 0.379851
C 1.613578 -3.621779 -0.058380
C 4.122242 2.885688 -0.435548
H -2.478889 -1.262400 0.455094
H -3.444835 -0.105177 1.423689
H -0.136471 0.610477 -2.149753
H -0.868584 1.972319 -1.276848
H -2.631753 0.998432 -2.546352
H -2.228156 -0.675201 -2.091515
H -1.777804 0.032757 3.237002
H -0.848755 -1.243395 2.395315
H -0.047267 0.280003 2.885825
H -2.476518 2.082067 2.201635
H -0.788400 2.534119 1.802336
H -2.063137 2.529136 0.532516
H -4.617444 -1.031894 -1.217350
H -4.929558 0.640611 -1.801117
H -5.248215 0.223572 -0.091345
H -0.763137 -1.798559 -1.725415
H 1.739190 -0.627797 1.621915
H 0.289720 -4.036477 -1.737000
H 2.808867 -2.873447 1.604594
H 2.273886 3.474926 0.596809
H 3.119763 2.133579 1.367855
H 2.086659 -4.610018 -0.071817
H 3.860231 3.327607 -1.412034
H 4.759876 3.600887 0.113802
H 4.708904 1.972981 -0.635764


