%chk=000049177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049177

0 1
 O    2.076700      0.7688000     -0.2114000    
 O  -0.7111000      0.3053000       2.220300    
 O  -0.5959000     -0.5502000      -2.395500    
 O    1.933300      -3.035600      0.5170000    
 N   0.6837000      -1.298200       1.356900    
 N   0.7419000      -1.725200     -0.9489000    
 C  -0.2924000      0.3579000     -0.1676000    
 C   -1.662100       1.033700     -0.3270000    
 C   0.8171000       1.411600     -0.3350000    
 C   -2.787600      4.6200000E-02 -5.5900000E-02
 C  -0.1634000     -0.2060000       1.243900    
 C  -0.1003000     -0.6728000      -1.275600    
 C   0.6977000       2.509100      0.7036000    
 C   -4.148400      0.7298000     -0.1872000    
 C    1.185900      -2.075900      0.3204000    
 C    3.150600       1.689200     -0.3564000    
 C   -5.286600     -0.2324000      0.1133000    
 C    4.460900      0.9446000     -0.2148000    
 H   -1.773500       1.458700      -1.332900    
 H   -1.814100       1.856100      0.3753000    
 H   0.7476000       1.851000      -1.339700    
 H   -2.745800     -0.7911000     -0.7621000    
 H   -2.719900     -0.3850000      0.9478000    
 H    1.055500       2.192000       1.689400    
 H    1.314700       3.370800      0.4210000    
 H  -0.2958000       2.941300      0.8154000    
 H   -4.270600       1.126200      -1.202000    
 H   -4.210000       1.579200      0.5032000    
 H   0.8976000      -1.611300       2.299700    
 H   0.9985000      -2.353100      -1.705500    
 H    3.101000       2.174400      -1.337400    
 H    3.145300       2.449200      0.4291000    
 H   -5.214800     -0.6193000       1.134800    
 H   -5.275400      -1.081400     -0.5777000    
 H   -6.250100      0.2765000      1.0200000E-02
 H    5.311800       1.623400     -0.3215000    
 H    4.521400      0.4518000      0.7613000    
 H    4.539900      0.1581000     -0.9727000    


%chk=000049177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049177

0 1
O 2.130780 0.984405 0.016075
O -0.363706 0.500393 2.494216
O -0.109223 -0.098139 -2.331739
O 1.370276 -3.368236 0.609987
N 0.515125 -1.387644 1.507366
N 0.562954 -1.715224 -0.829759
C -0.217429 0.521061 0.039892
C -1.672802 1.069240 -0.098554
C 0.836312 1.682205 -0.142065
C -2.766106 -0.021448 -0.066051
C -0.036908 -0.098392 1.435279
C 0.074067 -0.437651 -1.132897
C 0.697789 2.877059 0.810102
C -4.183795 0.580692 -0.196845
C 0.863178 -2.231268 0.441505
C 3.289154 1.698596 -0.550428
C -5.295069 -0.489113 -0.150132
C 4.482342 0.744963 -0.496083
H -1.734855 1.625493 -1.053205
H -1.846427 1.778343 0.730337
H 0.733385 2.020860 -1.197266
H -2.607184 -0.746828 -0.889628
H -2.704142 -0.588926 0.885179
H 0.745542 2.559716 1.863769
H 1.507510 3.603013 0.615470
H -0.258728 3.403709 0.646780
H -4.251960 1.145807 -1.148551
H -4.342382 1.316677 0.617407
H 0.690498 -1.762574 2.445153
H 0.792183 -2.324937 -1.621167
H 3.058285 1.995055 -1.597053
H 3.494409 2.618020 0.036531
H -5.268878 -1.047621 0.804444
H -5.177027 -1.221467 -0.970895
H -6.297233 -0.033253 -0.246643
H 5.386617 1.238675 -0.895946
H 4.683281 0.437448 0.544584
H 4.283466 -0.161308 -1.093367


