%chk=000005474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005474

0 1
 O   0.3510000      -1.236700      -1.261100    
 O    2.803700      -2.103400      -2.312900    
 O   -4.239500     -5.2299999E-02   1.453700    
 N    2.989900     -0.2441000      0.8831000    
 N   -2.563200      -1.585600      0.9312000    
 C    3.447200       1.102300       1.198800    
 C    3.083700     -0.5040000     -0.5470000    
 C    2.618800      -1.917100     -0.9067000    
 C    2.574300       2.122800      0.4590000    
 C    4.907600       1.238400      0.7549000    
 C    3.336100       1.313600       2.712600    
 C    1.152400      -2.175000     -0.5677000    
 C  -0.8056000     -0.9685000     -0.5646000    
 C   -1.391000      0.3662000     -0.7232000    
 C   -2.571200      0.6776000     -2.7700000E-02
 C   -1.402200      -1.861200      0.2346000    
 C   -3.207200     -0.3429000      0.8535000    
 C  -0.8136000       1.344100      -1.545900    
 C   -3.159000       1.942900     -0.1548000    
 C   -3.139300      -2.624900       1.777900    
 C   -1.401500       2.604700      -1.670800    
 C   -2.571300       2.903000     -0.9768000    
 H    2.025600     -0.3554000       1.193300    
 H    2.499500      0.1980000      -1.150100    
 H    4.115000     -0.4378000     -0.9092000    
 H    3.246100      -2.659400     -0.3998000    
 H    2.769600       2.173100     -0.6170000    
 H    1.506200       1.928100      0.6110000    
 H    2.768000       3.132200      0.8432000    
 H    5.030600       1.331100     -0.3293000    
 H    5.520000      0.3990000       1.105800    
 H    5.347400       2.148800       1.181500    
 H    3.681600       2.313400       2.999400    
 H    2.299700       1.212300       3.055800    
 H    3.942700      0.5846000       3.262900    
 H    1.052700      -2.131200      0.5245000    
 H   0.8807000      -3.180400     -0.9136000    
 H    2.213200      -1.483200      -2.774200    
 H   -1.038900      -2.873500      0.3723000    
 H   0.1001000       1.144000      -2.100500    
 H   -4.071400       2.199100      0.3766000    
 H   -4.047600      -2.284200       2.281700    
 H   -2.404300      -2.913600       2.535900    
 H   -3.386100      -3.492000       1.157000    
 H  -0.9442000       3.354100      -2.310600    
 H   -3.026000       3.884400      -1.075900    


%chk=000005474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005474

0 1
O 0.218291 -0.614188 -0.703600
O 2.365896 -1.586240 -2.410004
O -5.118948 -0.843197 0.917656
N 3.168843 0.279661 0.788407
N -2.949200 -1.738868 0.942282
C 4.306590 1.113179 1.301934
C 3.055579 0.042995 -0.667276
C 2.491980 -1.371058 -0.959228
C 4.349027 2.525816 0.645178
C 5.643202 0.371518 1.052675
C 4.082082 1.256821 2.827195
C 1.164262 -1.657050 -0.252400
C -1.115334 -0.707307 -0.272601
C -2.001837 0.340812 -0.746917
C -3.376143 0.299919 -0.342863
C -1.603380 -1.702639 0.548585
C -3.904863 -0.770155 0.535921
C -1.552795 1.398400 -1.589917
C -4.270260 1.308965 -0.788751
C -3.398249 -2.839663 1.819984
C -2.451691 2.387399 -2.020611
C -3.816546 2.345280 -1.620998
H 2.278705 0.627931 1.172178
H 2.417409 0.793236 -1.186392
H 4.053176 0.090677 -1.134873
H 3.223277 -2.125728 -0.621853
H 4.459926 2.450041 -0.452289
H 3.417332 3.084014 0.858210
H 5.199308 3.119427 1.029941
H 5.869544 0.276378 -0.025047
H 5.600562 -0.641800 1.488954
H 6.479206 0.924378 1.518362
H 4.887844 1.857241 3.285699
H 3.120348 1.762779 3.042368
H 4.064603 0.262545 3.307643
H 1.286966 -1.609477 0.847596
H 0.786179 -2.654632 -0.552593
H 1.619007 -1.017772 -2.732664
H -0.980348 -2.509324 0.937719
H -0.501558 1.424595 -1.890277
H -5.312509 1.244741 -0.459966
H -4.472879 -2.692689 2.006254
H -2.852125 -2.817825 2.779936
H -3.239819 -3.816075 1.328448
H -2.099847 3.197606 -2.669038
H -4.510514 3.120731 -1.962168


