%chk=000094626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094626

0 1
 O    5.534400      -2.493300     -0.9462000    
 N    3.859300      0.5142000      0.3369000    
 N   -1.721500      0.1937000      0.6810000    
 N   -2.214000      9.9299997E-02 -0.4671000    
 C    2.454100      0.4283000      0.4242000    
 C    4.671800     -0.6852000      0.3791000    
 C    4.509700       1.803900      0.2179000    
 C    1.836800     -0.8174000      0.5384000    
 C   0.4471000     -0.9017000      0.6248000    
 C    1.681600       1.589500      0.3963000    
 C    4.706100      -1.338300     -0.9921000    
 C    4.461600       2.282400      -1.220400    
 C  -0.3252000      0.2595000      0.5969000    
 C   0.2920000       1.505100      0.4827000    
 C  -0.1919000      -2.246700      0.7447000    
 C   -3.615200      3.2900002E-02 -0.3831000    
 C   -4.364900       1.204800     -0.4146000    
 C   -4.242700      -1.203800     -0.2687000    
 C   -5.755700       1.139400     -0.3305000    
 C   -5.633500      -1.269000     -0.1847000    
 C   -6.389900     -9.7499996E-02 -0.2156000    
 H    4.363900      -1.385100       1.165500    
 H    5.704200     -0.4380000      0.6615000    
 H    4.097600       2.548100      0.9087000    
 H    5.564800       1.723800      0.5091000    
 H    2.395000      -1.746800      0.5650000    
 H    2.097500       2.587100      0.3108000    
 H    5.132500     -0.6638000      -1.739900    
 H    3.719300      -1.641200      -1.352900    
 H    5.021000       1.612500      -1.880400    
 H    3.444500       2.356600      -1.614900    
 H    4.921000       3.273500      -1.297600    
 H  -0.3015000       2.415700      0.4610000    
 H   0.5461000      -3.035000      0.9291000    
 H  -0.8959000      -2.268300       1.583300    
 H  -0.7237000      -2.498000     -0.1787000    
 H    5.141400      -3.109000     -0.3042000    
 H   -3.878800       2.172600     -0.5046000    
 H   -3.660900      -2.121300     -0.2443000    
 H   -6.344700       2.051600     -0.3548000    
 H   -6.127500      -2.232200     -9.5200002E-02
 H   -7.472800     -0.1485000     -0.1502000    


%chk=000094626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094626

0 1
O 6.147596 -2.288818 0.662072
N 3.870560 0.719140 0.103889
N -1.733021 -0.257848 0.253467
N -2.519429 0.585701 -0.381331
C 2.490452 0.481749 0.105038
C 4.804773 -0.198134 0.781240
C 4.449193 1.860240 -0.642453
C 1.923088 -0.636564 0.799520
C 0.537006 -0.871486 0.849442
C 1.582128 1.363478 -0.575278
C 5.159393 -1.463332 -0.045628
C 4.604179 1.618495 -2.163027
C -0.348689 0.030323 0.172294
C 0.205432 1.138997 -0.533702
C -0.006600 -2.068347 1.607094
C -3.914751 0.277718 -0.283132
C -4.463624 -0.829056 0.428221
C -4.782684 1.173647 -0.963647
C -5.857340 -1.023813 0.449840
C -6.178592 0.971301 -0.937339
C -6.721805 -0.127686 -0.230660
H 4.391428 -0.501488 1.764123
H 5.744535 0.342581 0.990852
H 3.830605 2.759810 -0.464613
H 5.440295 2.074856 -0.203734
H 2.572734 -1.345439 1.321260
H 1.957602 2.224431 -1.134586
H 5.657037 -1.179607 -0.986569
H 4.245606 -2.039986 -0.293762
H 5.300938 0.786110 -2.365443
H 3.634727 1.373156 -2.629960
H 5.004019 2.525245 -2.653583
H -0.486904 1.812830 -1.048397
H 0.810353 -2.650481 2.068339
H -0.705766 -1.750143 2.400266
H -0.580861 -2.733243 0.938082
H 5.722437 -2.712264 1.449979
H -3.780378 -1.508710 0.946705
H -4.335863 2.016080 -1.502447
H -6.279755 -1.874771 0.997038
H -6.841216 1.666460 -1.464876
H -7.805839 -0.286730 -0.208397


