%chk=000044937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044937

0 1
 O   0.8179000     -2.7000001E-03  4.4000000E-02
 O   -1.562000       2.428400      0.4146000    
 O    2.135800      0.1714000      -1.814900    
 N    3.119900     -2.6300000E-02  0.2829000    
 C   -1.638500     -2.4000001E-03  6.6200003E-02
 C   -2.832000      0.1053000     -0.9294000    
 C   -1.676500      -1.317000      0.9016000    
 C  -0.3380000      7.6200001E-02 -0.7803000    
 C   -1.656700       1.175100       1.079600    
 C   -4.221600      9.2799999E-02 -0.3041000    
 C   -1.622800      -2.613600      0.1025000    
 C    2.033800      5.6400001E-02 -0.5948000    
 C    4.500300      1.8300001E-02 -0.1891000    
 C    2.940300     -0.1620000       1.721300    
 H   -2.777300     -0.7080000      -1.663400    
 H   -2.737500       1.031300      -1.511900    
 H  -0.8346000      -1.325300       1.606500    
 H   -2.578600      -1.333400       1.525200    
 H  -0.3118000     -0.7364000      -1.516100    
 H  -0.3083000       1.021100      -1.338000    
 H  -0.8106000       1.103800       1.772700    
 H   -2.570100       1.171500       1.682900    
 H   -4.375400      0.9449000      0.3632000    
 H   -4.407100     -0.8290000      0.2535000    
 H   -4.980000      0.1564000      -1.091900    
 H   -1.669200      -3.468800      0.7853000    
 H   -2.466800      -2.700100     -0.5870000    
 H  -0.6931000      -2.702200     -0.4660000    
 H   -1.574800       3.117400       1.100500    
 H    5.003200     -0.9079000      0.1033000    
 H    5.003000      0.8735000      0.2714000    
 H    4.541100      0.1210000      -1.276300    
 H    3.421800      0.6884000       2.213500    
 H    3.424100      -1.088000       2.046300    
 H    1.892200     -0.1919000       2.024700    


%chk=000044937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044937

0 1
O 0.821959 0.003654 0.096182
O -1.761024 2.466803 0.303767
O 2.180445 0.166476 -1.814071
N 3.118287 -0.061221 0.329193
C -1.638478 0.029405 0.068029
C -2.843607 0.118835 -0.923813
C -1.644949 -1.288392 0.903967
C -0.363183 0.147398 -0.794859
C -1.677277 1.210290 1.069861
C -4.244368 0.021138 -0.282464
C -1.596927 -2.599745 0.089879
C 2.065152 0.047063 -0.562699
C 4.490878 -0.037947 -0.195043
C 2.957547 -0.202552 1.782033
H -2.737147 -0.680304 -1.684408
H -2.767830 1.082614 -1.461024
H -0.776225 -1.266374 1.590603
H -2.550175 -1.294676 1.543473
H -0.317279 -0.636713 -1.571024
H -0.317875 1.135832 -1.283146
H -0.756144 1.187201 1.688166
H -2.559734 1.106989 1.736198
H -4.418625 0.841618 0.436812
H -4.397300 -0.938332 0.245132
H -5.023937 0.098737 -1.062407
H -1.601897 -3.471106 0.770374
H -2.466719 -2.700886 -0.584132
H -0.680368 -2.666634 -0.523327
H -1.590787 3.232484 0.905298
H 5.019328 -0.980734 0.047871
H 5.060664 0.806005 0.240777
H 4.448920 0.080589 -1.288033
H 3.446587 0.640104 2.310431
H 3.422039 -1.145447 2.133009
H 1.890149 -0.213970 2.037896


