%chk=000044434.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044434

0 1
 O   0.3505000     -0.3773000       1.285600    
 N   -4.070500      0.3903000      0.2638000    
 N  -0.4906000      0.3274000     -0.7606000    
 C    1.687600     -0.7419000     -0.7074000    
 C   -2.834100     -0.1754000     -0.2603000    
 C   -1.734100      0.8759000     -0.2704000    
 C    1.829900      -2.274100     -0.6006000    
 C   0.4570000     -0.2591000      6.6600002E-02
 C    2.928400     -1.7000000E-03 -0.2377000    
 C   -4.502500       1.529300     -0.5486000    
 C   -5.123600     -0.6261000      0.3121000    
 C   0.5904000      -3.022100      -1.075600    
 C   -5.754500       2.170100      2.5900001E-02
 C   -4.697100      -1.819000       1.150800    
 C    3.283500       1.176000     -0.8659000    
 C    3.667100     -0.5265000      0.8048000    
 C    4.422600       1.855900     -0.4347000    
 C    4.806100      0.1534000       1.236100    
 C    5.183800       1.344700      0.6162000    
 H    1.556400     -0.5214000      -1.775900    
 H   -2.470200     -0.9941000      0.3698000    
 H   -2.971900     -0.5848000      -1.270300    
 H   -1.939400       1.701800     -0.9554000    
 H   -1.571100       1.285900      0.7331000    
 H    1.990500      -2.597100      0.4333000    
 H    2.697000      -2.608000      -1.183900    
 H   -3.760500       2.331900     -0.5355000    
 H   -4.672500       1.248500      -1.595500    
 H   -6.020600     -0.2287000      0.7981000    
 H   -5.411700     -0.9658000     -0.6907000    
 H  -0.3238000      0.3723000      -1.761400    
 H   0.3349000      -2.743400      -2.102900    
 H  -0.2750000      -2.821300     -0.4366000    
 H   0.7731000      -4.101400      -1.054600    
 H   -6.653100       1.574300     -0.1609000    
 H   -5.662600       2.348700       1.102700    
 H   -5.922000       3.142100     -0.4521000    
 H   -3.983000      -2.464200      0.6298000    
 H   -4.268200      -1.510800       2.110600    
 H   -5.571900      -2.441500       1.371500    
 H    2.695400       1.583000      -1.683100    
 H    3.398100      -1.431800       1.334700    
 H    4.716100       2.784000     -0.9164000    
 H    5.395800     -0.2405000       2.058700    
 H    6.069600       1.875000      0.9532000    


%chk=000044434-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044434

0 1
O -0.071207 -1.242415 0.726973
N -4.149042 0.394264 0.051047
N -0.435186 0.465022 -0.803157
C 1.673495 -0.821678 -0.977995
C -2.891593 -0.046476 -0.593048
C -1.713063 0.878859 -0.193982
C 1.952067 -2.349106 -1.070402
C 0.317100 -0.569278 -0.280280
C 2.796189 -0.088994 -0.232644
C -4.973111 1.286785 -0.801713
C -4.905540 -0.700385 0.711358
C 0.952666 -3.094100 -1.979024
C -5.862529 2.250425 0.008143
C -4.220456 -1.195281 2.000396
C 3.692695 0.754043 -0.936549
C 2.978610 -0.267365 1.164112
C 4.751858 1.406628 -0.264527
C 4.033924 0.386620 1.836568
C 4.925709 1.224923 1.126403
H 1.623229 -0.417218 -2.010554
H -2.636695 -1.067765 -0.259949
H -2.980736 -0.081001 -1.704300
H -1.926113 1.922129 -0.489597
H -1.611438 0.844481 0.904157
H 1.908613 -2.767131 -0.047711
H 2.985467 -2.491356 -1.440674
H -4.279668 1.888286 -1.420720
H -5.606970 0.703298 -1.518412
H -5.908458 -0.313044 0.968446
H -5.067508 -1.562708 0.015582
H -0.073507 0.977674 -1.608263
H 0.968477 -2.693757 -3.011195
H -0.077478 -3.005974 -1.589012
H 1.199200 -4.170039 -2.032611
H -6.594283 1.707981 0.633553
H -5.239225 2.869775 0.676544
H -6.430345 2.915177 -0.669776
H -3.198671 -1.568343 1.805127
H -4.143881 -0.370174 2.730040
H -4.801117 -2.019610 2.455655
H 3.566191 0.895737 -2.017828
H 2.279452 -0.904894 1.717555
H 5.437213 2.053704 -0.824022
H 4.160497 0.244220 2.915965
H 5.744468 1.730562 1.650721


