%chk=000071118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071118

0 1
 O    5.444200      0.1812000      -1.074500    
 N   0.5593000      -2.525400     -0.1473000    
 N   -4.766200      0.2858000     -0.1362000    
 N    4.026900      0.8887000      0.6341000    
 C  -0.1242000     -0.1060000     -0.2563000    
 C  -0.5518000      -1.585800      0.1439000    
 C    1.164300      0.2880000      0.4785000    
 C    2.263400     -0.7483000      0.2342000    
 C    1.774000      -2.153800      0.5999000    
 C   -1.902200      -2.022600     -0.5443000    
 C   -1.264900      0.8731000     -3.3199999E-02
 C   -2.564400      0.3593000     -0.1272000    
 C   -2.947600     -0.9759000     -0.3624000    
 C    3.522300     -0.3921000       1.024400    
 C   0.2218000      -3.919100      0.1578000    
 C   -3.695700       1.140700      1.2500000E-02
 C   -1.164300       2.253800      0.1827000    
 C   -4.322600      -1.000400     -0.3671000    
 C   -3.606100       2.511400      0.2506000    
 C   -2.312000       3.050000      0.3286000    
 C    4.952300       1.074000     -0.3894000    
 C    5.293600       2.523400     -0.6094000    
 H   8.1600003E-02 -9.5899999E-02  -1.337200    
 H  -0.7402000      -1.590000       1.229900    
 H    1.501700       1.269400      0.1263000    
 H   0.9667000      0.3856000       1.554500    
 H    2.510100     -0.7374000     -0.8374000    
 H    2.577500      -2.862900      0.3613000    
 H    1.596300      -2.222800       1.682100    
 H   -2.268400      -2.959600     -0.1101000    
 H   -1.739000      -2.183700      -1.617100    
 H    4.300600      -1.146000      0.8603000    
 H    3.315200     -0.3512000       2.099500    
 H    1.088600      -4.572100      1.3000000E-03
 H  -0.5512000      -4.298100     -0.5177000    
 H  -0.1167000      -4.044200       1.192500    
 H  -0.1932000       2.737500      0.2376000    
 H   -5.030500      -1.804700     -0.5090000    
 H   -5.737700      0.5599000     -8.6800002E-02
 H   -4.486000       3.134600      0.3612000    
 H   -2.195500       4.117800      0.5016000    
 H    3.682500       1.703700       1.133700    
 H    6.187900       2.600500      -1.233900    
 H    4.458700       3.020500      -1.110600    
 H    5.490900       3.017300      0.3463000    


%chk=000071118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071118

0 1
O 5.871453 0.024785 -0.677433
N 0.508592 -2.480989 -0.157431
N -4.931316 0.220352 -0.045271
N 4.112945 0.965904 0.525561
C -0.230899 -0.100173 -0.267586
C -0.623352 -1.561355 0.166007
C 1.089324 0.335966 0.408405
C 2.223834 -0.675110 0.144518
C 1.756104 -2.087424 0.543826
C -1.944196 -2.053065 -0.510929
C -1.377167 0.883249 -0.019114
C -2.677656 0.339252 -0.084147
C -3.037041 -1.032602 -0.312407
C 3.521362 -0.323894 0.914071
C 0.215240 -3.912049 0.081842
C -3.861241 1.116769 0.083813
C -1.290145 2.267890 0.231383
C -4.428432 -1.082708 -0.280257
C -3.773673 2.507848 0.326403
C -2.473097 3.056738 0.397696
C 5.256750 1.052280 -0.257215
C 5.730913 2.469866 -0.572628
H -0.048465 -0.156557 -1.363454
H -0.803363 -1.539934 1.276627
H 1.380842 1.336234 0.032713
H 0.922230 0.431732 1.502989
H 2.452273 -0.687831 -0.939286
H 2.541152 -2.821736 0.281825
H 1.623863 -2.126506 1.660484
H -2.244361 -3.029846 -0.091978
H -1.732697 -2.211825 -1.588822
H 4.295205 -1.086833 0.713494
H 3.315320 -0.314312 2.003938
H 1.125372 -4.500516 -0.130107
H -0.573897 -4.271250 -0.597863
H -0.099630 -4.131598 1.133877
H -0.317115 2.766473 0.300511
H -5.109346 -1.923528 -0.401434
H -5.917793 0.458566 0.024483
H -4.657574 3.141528 0.457188
H -2.365282 4.131342 0.586404
H 3.655825 1.826255 0.828779
H 6.760255 2.596366 -0.195073
H 5.767022 2.601612 -1.667706
H 5.091860 3.258832 -0.138498


