%chk=000159470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159470

0 1
 O   -4.181900      -1.476400       1.285800    
 N    2.016800     -7.0100002E-02 -0.2452000    
 N  -0.1924000      0.7242000      0.2904000    
 N   -2.214000     -0.3774000      0.7785000    
 C    2.728400      0.8499000      0.6311000    
 C    2.792400      -1.164000     -0.8129000    
 C    3.021600       2.162600     -8.7700002E-02
 C    2.935900      -2.302500      0.1916000    
 C   0.6348000     -5.0400000E-02 -0.3364000    
 C    3.726300       3.178000      0.8014000    
 C    3.702000      -3.492300     -0.3700000    
 C   -1.510300      0.5248000      9.2000002E-03
 C   -2.135800       1.175200     -0.9841000    
 C   -3.556200     -0.6725000      0.5995000    
 C   -3.533100      0.9312000      -1.243300    
 C   -4.234400      5.9599999E-02 -0.5078000    
 H    3.674000      0.4108000      0.9726000    
 H    2.142200       1.038400       1.538900    
 H    3.783700     -0.8021000      -1.113000    
 H    2.314000      -1.529500      -1.729900    
 H    2.087300       2.604300     -0.4549000    
 H    3.641800       1.968600     -0.9713000    
 H    1.942600      -2.642000      0.5102000    
 H    3.446500      -1.949600       1.095200    
 H   0.2668000     -0.8276000      -1.033400    
 H    3.112500       3.425800       1.673100    
 H    4.685500       2.787400       1.155400    
 H    3.917900       4.101000      0.2455000    
 H    3.194700      -3.904300      -1.248000    
 H    4.715400      -3.200300     -0.6630000    
 H    3.778800      -4.283700      0.3820000    
 H   -1.704000     -0.8483000       1.520000    
 H   -1.620100       1.893600      -1.612300    
 H   -4.002900       1.476200      -2.054500    
 H   -5.284300     -0.1341000     -0.6905000    


%chk=000159470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159470

0 1
O -4.511514 0.903306 2.029013
N 1.989205 -0.306911 -0.197343
N -0.222940 0.354854 0.273724
N -2.430487 0.588468 1.007477
C 2.541310 0.647797 0.792664
C 2.913535 -1.214955 -0.909464
C 2.836542 2.038380 0.181600
C 3.293224 -2.475860 -0.095388
C 0.639226 -0.371831 -0.414872
C 3.426339 3.003381 1.231765
C 4.305257 -3.361074 -0.853396
C -1.577938 0.370664 -0.067297
C -2.141929 0.252170 -1.348575
C -3.858079 0.697768 0.955247
C -3.562940 0.341339 -1.483449
C -4.398274 0.551021 -0.389210
H 3.466746 0.212028 1.214831
H 1.802415 0.756077 1.606095
H 3.829232 -0.647862 -1.167493
H 2.445060 -1.519444 -1.865279
H 1.893691 2.449773 -0.223417
H 3.538676 1.929766 -0.668953
H 2.373332 -3.050081 0.126630
H 3.718204 -2.169879 0.880438
H 0.336940 -1.098818 -1.192173
H 2.725105 3.148424 2.074338
H 4.378066 2.618706 1.645166
H 3.628161 3.994816 0.788971
H 3.893941 -3.702903 -1.821791
H 5.243114 -2.812011 -1.060364
H 4.564803 -4.258345 -0.264539
H -2.004025 0.692012 1.934571
H -1.495287 0.144627 -2.222392
H -4.002582 0.250953 -2.484180
H -5.483629 0.628144 -0.490754


