%chk=000087935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087935

0 1
 O    2.317500      -2.373200     -0.5394000    
 O    2.993400       2.242500     -0.4133000    
 N    2.702700     -7.1099997E-02 -0.5558000    
 N   -3.619600     -0.4612000      0.6868000    
 C  -1.1600000E-02  0.3124000      2.6600000E-02
 C   0.4696000     -0.9938000     -0.1388000    
 C   -1.387600      0.5075000      0.3057000    
 C   0.8270000       1.431400     -7.2800003E-02
 C    4.102900     -0.2678000     -0.9155000    
 C   -2.237700     -0.6038000      0.4096000    
 C    1.902100      -1.221400     -0.4302000    
 C    2.267000       1.252400     -0.3636000    
 C    5.010600     -0.3581000      0.3067000    
 C  -0.3916000      -2.093000     -3.1300001E-02
 C   -1.741800      -1.894900      0.2421000    
 C   -1.882200       1.809300      0.4757000    
 C   0.3180000       2.724900      0.1003000    
 C   -4.560000      -1.479500      0.3967000    
 C    6.483800     -0.5369000     -6.6900000E-02
 C   -5.994700     -0.9623000      0.3917000    
 C   -1.034100       2.909800      0.3736000    
 C   -6.226400      0.1185000     -0.6669000    
 C    7.370600     -0.5634000       1.168200    
 C   -7.677900      0.5717000     -0.6892000    
 H    4.202000      -1.179400      -1.516300    
 H    4.425400      0.5666000      -1.550100    
 H    4.690100      -1.194600      0.9404000    
 H    4.897800      0.5487000      0.9141000    
 H  -2.8899999E-02  -3.110000     -0.1549000    
 H   -2.367000      -2.778400      0.3307000    
 H   -2.927700       2.019400      0.6800000    
 H   0.9575000       3.600200      2.4599999E-02
 H   -3.943200      0.3964000       1.114100    
 H   -4.368500      -1.926100     -0.5877000    
 H   -4.489900      -2.280300       1.142700    
 H    6.803500      0.2831000     -0.7203000    
 H    6.613600      -1.469600     -0.6278000    
 H   -6.243400     -0.5593000       1.381600    
 H   -6.673400      -1.804500      0.2096000    
 H   -1.428600       3.913200      0.5049000    
 H   -5.956400     -0.2674000      -1.656800    
 H   -5.589700      0.9890000     -0.4734000    
 H    7.094800      -1.389700       1.831200    
 H    8.418200     -0.6943000      0.8797000    
 H    7.287700      0.3718000       1.731200    
 H   -7.972400      0.9917000      0.2779000    
 H   -7.822700       1.342400      -1.452700    
 H   -8.346600     -0.2640000     -0.9195000    


%chk=000087935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087935

0 1
O 2.518664 -2.235840 -0.819386
O 3.192994 2.376903 -0.473507
N 2.836432 0.075491 -0.663568
N -3.604609 -0.362889 0.298218
C 0.040679 0.448144 -0.194346
C 0.567056 -0.868106 -0.395930
C -1.369901 0.649178 0.040414
C 0.919107 1.580194 -0.224512
C 4.293665 -0.130056 -0.884646
C -2.250473 -0.516580 0.072961
C 2.004755 -1.087833 -0.637405
C 2.380335 1.400316 -0.456344
C 5.051958 -0.393753 0.434916
C -0.308535 -1.969014 -0.359811
C -1.689556 -1.805571 -0.130375
C -1.840691 1.984436 0.230264
C 0.420799 2.878191 -0.031584
C -4.567090 -1.473201 0.360578
C 6.560385 -0.619528 0.188961
C -5.997016 -0.955393 0.614850
C -0.964991 3.080293 0.194886
C -6.583552 -0.105118 -0.538093
C 7.334036 -0.907701 1.493555
C -8.039757 0.327895 -0.264419
H 4.401615 -0.995412 -1.559684
H 4.680978 0.781115 -1.369959
H 4.619309 -1.285445 0.927641
H 4.910579 0.468708 1.114894
H 0.115613 -2.966584 -0.516062
H -2.332564 -2.688751 -0.110061
H -2.903617 2.188015 0.408870
H 1.126141 3.714783 -0.061116
H -3.977970 0.573010 0.445747
H -4.544364 -2.044228 -0.591876
H -4.274145 -2.175659 1.168952
H 6.990111 0.273947 -0.307927
H 6.693485 -1.466880 -0.514221
H -6.018472 -0.374862 1.560726
H -6.650892 -1.833905 0.777531
H -1.351812 4.093515 0.343005
H -6.537085 -0.691522 -1.477456
H -5.961912 0.796997 -0.710905
H 6.941097 -1.813184 1.992880
H 8.410361 -1.068349 1.298420
H 7.240607 -0.064846 2.203996
H -8.109315 0.936992 0.656552
H -8.443649 0.929482 -1.098334
H -8.696595 -0.552495 -0.134086


