%chk=000115653.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115653

0 1
 O   -2.230700       1.650500      0.4069000    
 N   -1.443500     -0.3800000     -0.4029000    
 N   -4.810400      0.7784000      5.3800002E-02
 C   0.8348000      0.3823000      -1.010300    
 C  -8.5100003E-02 -0.2633000      6.4900003E-02
 C    1.538600     -0.7870000      -1.749900    
 C   0.5442000      -1.610500      0.2633000    
 C    1.458300      -1.901600     -0.7540000    
 C    1.782400       1.398300     -0.3835000    
 C   0.2977000      -2.520300       1.279900    
 C    2.136800      -3.109300     -0.7819000    
 C    1.391100       2.731200     -0.2569000    
 C    3.040600      0.9951000      6.3800000E-02
 C   -2.415000      0.5937000     -0.1928000    
 C   0.9848000      -3.735800       1.265800    
 C    1.897800      -4.028600      0.2414000    
 C   -3.759100      0.1926000     -0.7654000    
 C    2.258100       3.661000      0.3168000    
 C    3.907500       1.925100      0.6376000    
 C    3.516300       3.258000      0.7642000    
 C   -4.714100      0.3042000       1.436400    
 C   -6.131000      0.4658000     -0.4973000    
 H   0.2450000      0.9355000      -1.755500    
 H  -7.8699999E-02  0.3056000       1.002300    
 H    2.560500     -0.5686000      -2.071500    
 H   0.9518000      -1.073700      -2.631100    
 H   -1.688300      -1.202200     -0.9479000    
 H  -0.4125000      -2.299200       2.069600    
 H    2.838500      -3.339900      -1.576200    
 H   0.4125000       3.057000     -0.5992000    
 H    3.379700     -3.3199999E-02  1.6000000E-03
 H   0.8089000      -4.464100       2.052900    
 H    2.420400      -4.981300      0.2438000    
 H   -3.848100     -0.8997000     -0.8142000    
 H   -3.798700      0.5854000      -1.788300    
 H    1.953200       4.698600      0.4163000    
 H    4.885800       1.611100      0.9900000    
 H    4.190800       3.981800       1.212200    
 H   -3.807800      0.6387000       1.948800    
 H   -4.761800     -0.7896000       1.499000    
 H   -5.544300      0.7068000       2.029400    
 H   -6.220000      0.8486000      -1.520100    
 H   -6.918300      0.9527000      8.8900000E-02
 H   -6.327900     -0.6123000     -0.5136000    


%chk=000115653-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115653

0 1
O -2.077651 1.613882 0.134511
N -1.468476 -0.596931 -0.208502
N -4.882287 0.806447 -0.077899
C 0.767065 0.366358 -0.992472
C -0.049846 -0.366603 0.153016
C 1.410809 -0.796536 -1.812161
C 0.672555 -1.697541 0.304853
C 1.500642 -1.948073 -0.818939
C 1.759885 1.355460 -0.374452
C 0.575385 -2.629803 1.357620
C 2.246011 -3.142799 -0.896943
C 1.268712 2.619985 0.050959
C 3.128078 1.053254 -0.158522
C -2.395143 0.432514 -0.196948
C 1.325686 -3.828653 1.280540
C 2.154680 -4.081808 0.160166
C -3.805932 0.005963 -0.662826
C 2.128046 3.563353 0.654051
C 3.989735 1.996652 0.448893
C 3.495282 3.256833 0.853381
C -4.954183 0.734367 1.392047
C -6.177968 0.586321 -0.741141
H 0.055991 0.942113 -1.609268
H -0.044116 0.251461 1.068744
H 2.386572 -0.519549 -2.248372
H 0.755386 -1.077518 -2.660638
H -1.761217 -1.545887 -0.453204
H -0.058857 -2.427387 2.228500
H 2.891831 -3.344818 -1.759481
H 0.203662 2.847094 -0.081661
H 3.531068 0.077911 -0.453586
H 1.272466 -4.561150 2.093699
H 2.734567 -5.010826 0.115066
H -3.924927 -1.098046 -0.468516
H -3.839443 0.135168 -1.763704
H 1.731830 4.535426 0.969545
H 5.045105 1.745641 0.607185
H 4.164100 3.989008 1.320171
H -3.993114 1.058872 1.824043
H -5.196134 -0.290996 1.775388
H -5.735576 1.426145 1.752828
H -6.083000 0.780704 -1.825178
H -6.922984 1.292603 -0.333673
H -6.583496 -0.450810 -0.610021


