%chk=000002829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002829

0 1
 O    2.433200      -1.167600      -2.143000    
 O   0.3391000      -3.136100      -1.851000    
 O    7.645000      0.1719000       1.080600    
 O   -8.150800      -1.287700      0.4061000    
 N  -0.4670000      -1.361800     -0.5646000    
 N    1.430700     -0.2270000     -8.5699998E-02
 N   -2.023900      0.4664000      0.7983000    
 C    1.808300      -1.425700     -0.8943000    
 C    2.707900      -2.316100     -4.4799998E-02
 C   0.1466000     -0.3188000      2.1199999E-02
 C   0.4791000      -2.122900      -1.184100    
 C  -0.7369000      0.6415000      0.7443000    
 C   -1.815200      -1.540000     -0.5085000    
 C    4.024900      -1.652600      0.2553000    
 C  -8.9699998E-02   1.819900       1.405900    
 C   -2.561400     -0.6434000      0.1663000    
 C  -4.8900001E-02   2.999100      0.4795000    
 C   -4.030200     -0.8133000      0.2284000    
 C    5.094300      -1.832100     -0.6113000    
 C    4.152200     -0.8702000       1.394700    
 C    6.315000      -1.217200     -0.3328000    
 C    5.372800     -0.2553000       1.673100    
 C    1.046900       3.180300     -0.3571000    
 C   -1.107200       3.901000      0.4657000    
 C   -4.604100      -1.551800       1.263800    
 C   -4.842400     -0.2344000     -0.7473000    
 C    6.454200     -0.4288000      0.8094000    
 C    1.084900       4.276900      -1.218300    
 C   -1.069200       4.997600     -0.3955000    
 C   -5.988500      -1.711300       1.323300    
 C   -6.226900     -0.3939000     -0.6877000    
 C   -6.799900      -1.132400      0.3476000    
 C   2.6799999E-02   5.185600      -1.237500    
 H    2.902300      -3.263900     -0.5657000    
 H    2.212400      -2.595700      0.8949000    
 H   -2.223000      -2.406700      -1.015500    
 H   0.9162000       1.562100       1.756000    
 H  -0.6597000       2.072300       2.309200    
 H    1.943900     -0.4378000      -2.559300    
 H    4.998200      -2.444800      -1.503200    
 H    3.318600     -0.7303000       2.077200    
 H    7.149800      -1.360200      -1.013700    
 H    5.475300      0.3574000       2.564600    
 H    1.883000       2.487600     -0.3477000    
 H   -1.967000       3.764100       1.115900    
 H   -3.984800      -2.008300       2.032200    
 H   -4.410500      0.3450000      -1.559800    
 H    1.939200       4.424500      -1.872400    
 H   -1.893200       5.705000     -0.4107000    
 H   -6.422700      -2.288700       2.135200    
 H   -6.853800      5.9799999E-02  -1.450500    
 H   5.6400001E-02   6.039600      -1.907800    
 H    8.279600     -5.5500001E-02  0.3793000    
 H   -8.372700      -1.825500       1.185500    


%chk=000002829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002829

0 1
O 2.346683 -1.164705 -1.835264
O 0.361192 -3.428259 -1.294883
O 7.932079 0.371727 0.638101
O -8.443068 -1.095489 0.594640
N -0.527670 -1.461035 -0.286074
N 1.388325 -0.225846 0.188936
N -2.187627 0.447934 0.845011
C 1.813839 -1.481872 -0.517295
C 2.828039 -2.292721 0.342686
C 0.067888 -0.280040 0.262275
C 0.512323 -2.298102 -0.791058
C -0.881203 0.681287 0.837459
C -1.898674 -1.689953 -0.288537
C 4.181038 -1.607324 0.416348
C -0.341676 1.978736 1.405656
C -2.733776 -0.733517 0.272761
C -0.154676 3.035282 0.309106
C -4.209419 -0.862471 0.325819
C 5.203333 -1.930590 -0.512405
C 4.450853 -0.611816 1.394308
C 6.462492 -1.290278 -0.466697
C 5.699422 0.033925 1.454808
C 1.100275 3.207737 -0.327555
C -1.248594 3.843967 -0.091297
C -4.903820 -1.923586 -0.317493
C -4.976093 0.101188 1.041205
C 6.707156 -0.307306 0.521433
C 1.260692 4.182503 -1.338494
C -1.088822 4.817708 -1.102549
C -6.305425 -2.026878 -0.244404
C -6.376013 0.009241 1.121998
C -7.044705 -1.057885 0.479547
C 0.167995 4.991197 -1.728120
H 2.916628 -3.287784 -0.131564
H 2.398731 -2.433818 1.351388
H -2.218067 -2.633397 -0.734027
H 0.627268 1.778109 1.895647
H -1.061908 2.337272 2.160153
H 3.150308 -0.594944 -1.696097
H 5.019120 -2.701160 -1.269865
H 3.666963 -0.336636 2.107715
H 7.243054 -1.559698 -1.190153
H 5.913764 0.797556 2.208128
H 1.940281 2.566283 -0.037463
H -2.224859 3.705363 0.388613
H -4.360664 -2.679054 -0.895294
H -4.444284 0.922321 1.528733
H 2.236155 4.309967 -1.821599
H -1.940441 5.439951 -1.400373
H -6.820112 -2.852743 -0.752455
H -6.964887 0.748443 1.672576
H 0.293475 5.747458 -2.511287
H 8.573631 0.066158 -0.050366
H -8.819319 -1.872605 0.111319


