%chk=000012880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012880

0 1
 O  -0.9721000       1.103500      -1.686400    
 O   0.1317000      -2.347200       1.065500    
 O    3.388300      0.7399000     -0.1314000    
 N    1.194800       1.051700     -0.8337000    
 N    1.774400     -0.7603000      0.6081000    
 C  -0.5879000     -0.1691000      0.3246000    
 C   -1.926900     -0.8547000      1.9000000E-03
 C  -0.7834000      0.7438000       1.549200    
 C  -0.1641000      0.7050000     -0.8465000    
 C   0.4517000      -1.219600      0.6870000    
 C    2.205300      0.3833000     -0.1041000    
 C   -1.784600      -1.767200      -1.170300    
 C   -1.884700       1.722800       1.310100    
 C    1.631000       2.111800      -1.736500    
 C    2.816000      -1.587300       1.208400    
 C   -2.493200      -1.641800      -2.297900    
 C   -2.996000       1.785400       2.052200    
 H   -2.723000     -0.1309000     -0.2106000    
 H   -2.274700      -1.448600      0.8576000    
 H   0.1304000       1.307800       1.775800    
 H  -0.9882000      0.1366000       2.441400    
 H   -1.099200      -2.607200      -1.106700    
 H   -1.759200       2.461000      0.5225000    
 H   0.7913000       2.723100      -2.077400    
 H    2.115700       1.647300      -2.600900    
 H    2.359300       2.753700      -1.231400    
 H    3.538400     -0.9523000       1.730600    
 H    3.336100      -2.119500      0.4058000    
 H    2.401400      -2.312000       1.913900    
 H   -2.359900      -2.347000      -3.111100    
 H   -3.212700     -0.8419000      -2.433100    
 H   -3.751900       2.535500       1.846800    
 H   -3.173200       1.094900       2.869300    


%chk=000012880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012880

0 1
O -1.000202 1.621471 -1.354059
O 0.097983 -2.003794 1.639636
O 3.416862 0.331201 -0.646575
N 1.208506 1.014944 -0.954959
N 1.758117 -0.822224 0.517275
C -0.637827 -0.033659 0.405912
C -1.917418 -0.805025 -0.060562
C -0.975244 0.852843 1.687337
C -0.180258 0.911019 -0.711708
C 0.415367 -1.042334 0.887389
C 2.196462 0.188715 -0.371509
C -1.639023 -1.815293 -1.156493
C -2.160642 1.778707 1.520720
C 1.697033 2.009493 -1.942809
C 2.814399 -1.716672 1.054136
C -2.027346 -1.672267 -2.448534
C -3.225472 1.793504 2.360939
H -2.649545 -0.054698 -0.400805
H -2.328520 -1.316823 0.829137
H -0.071015 1.443123 1.945723
H -1.159403 0.147286 2.517990
H -1.092947 -2.720941 -0.851289
H -2.123268 2.480424 0.676816
H 0.826925 2.588522 -2.282125
H 2.168422 1.496534 -2.796612
H 2.445842 2.665405 -1.471867
H 3.573787 -1.121282 1.584925
H 3.307859 -2.256576 0.230015
H 2.326706 -2.425602 1.737662
H -1.806523 -2.436820 -3.202357
H -2.574662 -0.783210 -2.785134
H -4.049375 2.503017 2.225342
H -3.304679 1.101512 3.209142


