%chk=000028917.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028917

0 1
 O    1.121000      -1.873800      0.5886000    
 O   -2.240700     -0.6597000      -2.176000    
 O   -1.007300      -2.677300      0.3738000    
 N   -2.834800      0.3114000     -0.1618000    
 N    4.896600       2.151600     -0.2818000    
 C   -3.940500       1.123800       1.760700    
 C   -4.708900       1.562800      0.5218000    
 C   -2.570500      0.7614000       1.203900    
 C   -4.211800      0.5959000     -0.5412000    
 C   -1.956500     -0.3027000      -1.033100    
 C  -0.5849000     -0.5314000     -0.5372000    
 C   0.2965000      0.4505000     -0.7606000    
 C    1.672700      0.3172000     -0.3087000    
 C  -0.2025000      -1.775200      0.1684000    
 C    2.053400     -0.8439000      0.3562000    
 C    2.626000       1.316400     -0.5200000    
 C    3.355600      -1.034100      0.8140000    
 C    3.936500       1.140000     -6.6299997E-02
 C    4.300100     -3.3000000E-02  0.5991000    
 H   -3.890700       1.897500       2.531500    
 H   -4.415100      0.2356000       2.195200    
 H   -5.793500       1.523700      0.6537000    
 H   -4.429800       2.589700      0.2571000    
 H   -1.917800       1.639400       1.147200    
 H   -2.071500     -1.8600000E-02   1.785500    
 H   -4.765400     -0.3493000     -0.5156000    
 H   -4.262100       1.007600      -1.553600    
 H   1.6200000E-02   1.363100      -1.277900    
 H    2.351000       2.233200      -1.037600    
 H    3.636400      -1.946400       1.331200    
 H    5.317600     -0.1760000      0.9541000    
 H    5.845200       2.026900      4.5899998E-02
 H    4.636300       3.002300     -0.7627000    


%chk=000028917-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028917

0 1
O 1.088488 -1.326611 1.078194
O -1.959954 0.413066 -2.155840
O -1.122470 -1.933490 1.102819
N -2.959781 0.413538 -0.065448
N 5.435303 1.707085 -0.828655
C -4.507429 0.529669 1.744896
C -5.112839 1.263962 0.521287
C -2.994866 0.464303 1.424580
C -4.290154 0.717463 -0.666405
C -1.869028 0.262056 -0.887027
C -0.504805 -0.013510 -0.284108
C 0.562234 0.714856 -0.783756
C 1.921485 0.490967 -0.355223
C -0.280274 -1.127026 0.651061
C 2.146577 -0.547362 0.594126
C 3.027970 1.245092 -0.831877
C 3.444788 -0.828846 1.065485
C 4.338886 0.976084 -0.370636
C 4.527655 -0.073892 0.588917
H -4.705316 1.042361 2.701332
H -4.916624 -0.494808 1.813169
H -6.192824 1.076414 0.399193
H -4.962713 2.355373 0.617577
H -2.468098 1.370753 1.785997
H -2.517522 -0.427696 1.857240
H -4.728378 -0.209526 -1.084384
H -4.168843 1.429692 -1.499894
H 0.352873 1.475294 -1.544879
H 2.852104 2.040212 -1.566426
H 3.588241 -1.633093 1.792545
H 5.538432 -0.291740 0.953732
H 6.373134 1.502198 -0.497875
H 5.320548 2.445764 -1.515917


