%chk=000146562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146562

0 1
 O   -4.521800      -3.410900      0.1055000    
 N   -3.087900       1.872000     -0.1610000    
 N    2.808700     -0.4728000      0.3117000    
 N    3.312700       1.784900      0.1937000    
 C   -1.372500      0.4620000      2.4300000E-02
 C   -1.716600       1.807600     -8.1500001E-02
 C  -7.1999999E-03  0.1208000      0.1206000    
 C   0.9691000       1.135800      0.1082000    
 C  -0.7662000       2.836000     -9.5799997E-02
 C   -2.587800     -0.2935000      7.1999999E-03
 C   0.5924000       2.489100      6.0000003E-04
 C   -3.640400      0.6142000     -0.1096000    
 C    2.333200      0.8530000      0.2004000    
 C    4.368800      -2.339800      0.2106000    
 C    4.152400     -0.8423000     -3.8000001E-03
 C    5.788300      -2.849500     -0.1121000    
 C   0.3409000      -1.333200      0.2329000    
 C   -2.889200      -1.669700      8.0799997E-02
 C   -1.204200       4.263100     -0.2113000    
 C    1.591300       3.469100     -8.2000000E-03
 C   -4.981400      0.2170000     -0.1572000    
 C   -4.225500      -2.082700      3.4699999E-02
 C    2.915300       3.069700      8.9299999E-02
 C   -5.254600      -1.151500     -8.2699999E-02
 C    6.135200      -2.523400      -1.567400    
 C    6.847700      -2.254300      0.8163000    
 C   -5.900800      -3.770600      5.3599998E-02
 H   -3.627300       2.721800     -0.2458000    
 H    4.131300      -2.595500       1.251900    
 H    3.647000      -2.894800     -0.4040000    
 H    4.354900     -0.5764000      -1.046400    
 H    4.849700     -0.2814000      0.6280000    
 H    5.791200      -3.939400      1.3300000E-02
 H    1.133200      -1.631400     -0.4579000    
 H   0.5401000      -1.626900       1.267100    
 H  -0.4345000      -1.981500     -0.1478000    
 H    2.421600     -0.9622000       1.112400    
 H   -2.157300      -2.453400      0.2174000    
 H  -0.8814000       4.833700      0.6662000    
 H  -0.7849000       4.719200      -1.114600    
 H   -2.289800       4.374400     -0.2773000    
 H    1.377400       4.529600     -8.8200003E-02
 H   -5.782700      0.9428000     -0.2484000    
 H    3.716600       3.801500      8.5600004E-02
 H   -6.305700      -1.419100     -0.1228000    
 H    6.290800      -1.452100      -1.729800    
 H    7.063900      -3.029800      -1.853800    
 H    5.349400      -2.868400      -2.247500    
 H    6.591400      -2.438100       1.864800    
 H    7.823400      -2.714400      0.6259000    
 H    6.960000      -1.174800      0.6760000    
 H   -5.952100      -4.862300      0.1225000    
 H   -6.355100      -3.490700     -0.9029000    
 H   -6.454400      -3.371700      0.9105000    


%chk=000146562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146562

0 1
O -4.691796 -3.414002 0.096157
N -3.142549 1.953596 0.257304
N 2.850295 -0.548865 -0.134068
N 3.312026 1.681829 -0.548522
C -1.445453 0.429807 -0.120519
C -1.758285 1.833556 0.057197
C -0.117162 0.017876 -0.366931
C 0.918030 1.020982 -0.324783
C -0.799986 2.849327 -0.034441
C -2.714199 -0.302314 -0.004749
C 0.561316 2.436353 -0.223932
C -3.741073 0.681595 0.228828
C 2.360927 0.730925 -0.356205
C 4.520959 -2.354335 0.061698
C 4.295490 -0.835688 -0.090104
C 6.012132 -2.785784 0.162699
C 0.120571 -1.428453 -0.783810
C -3.080621 -1.666820 -0.032416
C -1.172660 4.317633 0.054346
C 1.606466 3.414789 -0.376165
C -5.088993 0.328765 0.404306
C -4.438425 -2.025441 0.144406
C 2.914405 2.996341 -0.596239
C -5.440994 -1.040678 0.355648
C 6.821186 -2.405340 -1.101682
C 6.697324 -2.246085 1.442529
C -6.073314 -3.852404 0.282613
H -3.639064 2.827170 0.407953
H 3.991997 -2.711432 0.972070
H 4.056504 -2.870088 -0.804007
H 4.753641 -0.451525 -1.017666
H 4.766421 -0.273397 0.741127
H 6.006880 -3.894389 0.232530
H 1.018465 -1.532215 -1.412431
H 0.215032 -2.121188 0.079300
H -0.737802 -1.783276 -1.377571
H 2.225476 -1.249953 0.258696
H -2.356961 -2.472742 -0.168163
H -0.643921 4.822056 0.885045
H -0.909787 4.859273 -0.874231
H -2.253802 4.467223 0.219221
H 1.377203 4.482350 -0.344124
H -5.859361 1.087477 0.579386
H 3.716637 3.719350 -0.783883
H -6.488271 -1.325636 0.489938
H 6.941593 -1.309782 -1.189023
H 7.833905 -2.848111 -1.064801
H 6.324701 -2.766831 -2.021832
H 6.123507 -2.514775 2.349618
H 7.715019 -2.665969 1.547440
H 6.793879 -1.144997 1.415557
H -6.039894 -4.949735 0.209650
H -6.738497 -3.448735 -0.506644
H -6.462515 -3.558484 1.277880


