%chk=000041934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041934

0 1
 O    4.063600      6.3400000E-02 -0.1941000    
 O   -1.072600      -2.379100      0.4262000    
 O   -2.464400       2.722600     -0.3420000    
 N    1.412600      -1.763300      0.8439000    
 C  -0.3580000     -0.1193000      0.3427000    
 C  -0.7324000       1.210800      0.1407000    
 C   0.9755000     -0.4334000      0.6306000    
 C    1.928300      0.5822000      0.7156000    
 C   -2.763400     -0.8558000     -5.0600000E-02
 C   -3.137600      0.4742000     -0.2531000    
 C   -1.360100      -1.201100      0.2550000    
 C   -2.135800       1.556200     -0.1642000    
 C   0.2269000       2.226900      0.2270000    
 C    1.554800       1.909500      0.5143000    
 C    3.361400      0.2842000       1.021300    
 C   -3.722600      -1.872000     -0.1373000    
 C   -4.471000      0.7881000     -0.5422000    
 C    5.435400     -0.2250000      4.0500000E-02
 C   -5.050200      -1.554800     -0.4259000    
 C   -5.423600     -0.2276000     -0.6280000    
 C    6.130700     -0.4293000      -1.296700    
 C    7.602700     -0.7574000      -1.123600    
 H  -3.8800001E-02   3.269300      7.3299997E-02
 H    3.807100       1.146400       1.536200    
 H    3.481200     -0.5588000       1.710800    
 H    2.287600       2.710100      0.5748000    
 H   -3.459700      -2.915300      1.5600000E-02
 H   -4.787600       1.815100     -0.7038000    
 H    5.518900      -1.132500      0.6501000    
 H    5.899600      0.6082000      0.5813000    
 H    2.394400      -1.998100      0.8620000    
 H   0.7490000      -2.524200      0.8033000    
 H   -5.793900      -2.343600     -0.4930000    
 H   -6.457900      1.6600000E-02 -0.8524000    
 H    5.633000      -1.234100      -1.850900    
 H    6.019400      0.4726000      -1.910700    
 H    7.734300      -1.677800     -0.5459000    
 H    8.077100     -0.8986000      -2.099800    
 H    8.126700      5.1899999E-02 -0.6052000    


%chk=000041934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041934

0 1
O 4.056876 -0.062285 -0.154895
O -0.786606 -2.326737 -0.207522
O -2.814209 2.789820 0.326872
N 1.657038 -1.417361 0.155077
C -0.337100 0.020459 0.187311
C -0.873173 1.345770 0.323155
C 1.093074 -0.176521 0.300725
C 1.941278 0.958821 0.588460
C -2.693358 -0.862305 -0.206617
C -3.234191 0.447947 -0.067676
C -1.225700 -1.117719 -0.079987
C -2.342308 1.612389 0.204840
C -0.023696 2.441395 0.560820
C 1.371090 2.236130 0.692711
C 3.410071 0.762245 0.892104
C -3.561618 -1.952044 -0.465291
C -4.631401 0.652332 -0.189158
C 5.505524 -0.216035 0.075133
C -4.949564 -1.741752 -0.585806
C -5.487236 -0.435948 -0.447277
C 6.076351 -1.078780 -1.054123
C 7.603208 -1.269137 -0.916566
H -0.468373 3.436494 0.647458
H 3.919153 1.745526 0.957734
H 3.533573 0.241699 1.870847
H 2.024246 3.092938 0.897929
H -3.120113 -2.948097 -0.566178
H -5.014301 1.671666 -0.077144
H 5.681824 -0.689987 1.067401
H 5.983410 0.788642 0.082643
H 2.672603 -1.460606 0.018152
H 1.009932 -2.197621 -0.037105
H -5.615406 -2.588042 -0.786793
H -6.566633 -0.275519 -0.541231
H 5.568677 -2.062138 -1.047346
H 5.834686 -0.599811 -2.021047
H 7.864584 -1.764220 0.037535
H 7.994456 -1.895141 -1.737678
H 8.133933 -0.299267 -0.951664


