%chk=000150238.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150238

0 1
 O    2.513300      -2.296700      0.1236000    
 N    4.108100      0.7426000     -0.9837000    
 N    1.757100     -0.4746000       1.342200    
 N  -0.4656000      0.3060000      0.3049000    
 N   -4.409600     -0.7617000     -0.6293000    
 C    3.273500       1.441900       1.206500    
 C    3.144400       1.579300     -0.3102000    
 C    3.058800      2.1199999E-02   1.727500    
 C  -0.7851000     -0.9889000      0.1163000    
 C   -2.093800      -1.392300     -0.1983000    
 C   0.1934000      -1.972700      0.2317000    
 C   -3.072100     -0.3996000     -0.3126000    
 C   -2.745900      0.9464000     -0.1178000    
 C   -1.411800       1.258300      0.1936000    
 C    1.570200      -1.614900      0.5560000    
 C   -2.393500      -2.752500     -0.3888000    
 C  -0.1010000      -3.325300      4.3000001E-02
 C   -1.397000      -3.716500     -0.2678000    
 C   -3.709000       1.964700     -0.2264000    
 C   -1.080800       2.596600      0.3887000    
 C    5.481200       1.109700     -0.6115000    
 C    3.952600      0.8225000      -2.442600    
 C   -3.352200       3.295000     -2.6500000E-02
 C   -2.035300       3.611200      0.2817000    
 H    2.505700       2.088200       1.654600    
 H    4.225400       1.836500       1.577800    
 H    2.126800       1.306800     -0.6136000    
 H    3.272800       2.635700     -0.5816000    
 H    3.083100      2.7000001E-02   2.822400    
 H    3.846800     -0.6557000       1.384300    
 H   0.9506000      1.3600000E-02   1.718500    
 H   -3.386300      -3.115300     -0.6323000    
 H   0.6668000      -4.088700      0.1403000    
 H   -1.631000      -4.766600     -0.4138000    
 H   -4.750400       1.776800     -0.4644000    
 H  -5.5199999E-02   2.869600      0.6311000    
 H    5.680300       2.177500     -0.7593000    
 H    6.201700      0.5485000      -1.219200    
 H    5.713900      0.8404000      0.4229000    
 H    4.646000      0.1370000      -2.942200    
 H    4.130700       1.835700      -2.820600    
 H    2.942600      0.5155000      -2.736400    
 H   -4.677900      -1.722300     -0.7769000    
 H   -5.138600     -7.1099997E-02 -0.7195000    
 H   -4.097300       4.080100     -0.1108000    
 H   -1.746100       4.646000      0.4396000    


%chk=000150238-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150238

0 1
O 2.417070 -1.792740 -0.053258
N 5.318025 0.392408 -0.636213
N 1.560323 0.233823 0.751733
N -1.075270 0.621016 0.570149
N -4.893979 -0.863739 -0.586065
C 3.438691 1.820236 0.200348
C 4.079573 1.113692 -1.017776
C 2.843112 0.796677 1.200401
C -1.184519 -0.628371 0.007851
C -2.470368 -1.181494 -0.403243
C 0.015658 -1.430096 -0.186410
C -3.655480 -0.383598 -0.212243
C -3.532297 0.924584 0.374926
C -2.204631 1.375226 0.749910
C 1.434159 -1.004948 0.179231
C -2.518717 -2.492280 -0.982544
C -0.097895 -2.701355 -0.758102
C -1.355954 -3.239475 -1.156549
C -4.648667 1.798098 0.606123
C -2.057816 2.678834 1.339814
C 6.519647 1.241026 -0.676484
C 5.497744 -0.904277 -1.318644
C -4.473840 3.056707 1.179193
C -3.161561 3.500485 1.550289
H 2.647240 2.519905 -0.137632
H 4.207674 2.423594 0.722742
H 3.358340 0.379064 -1.417872
H 4.271870 1.857244 -1.831240
H 2.681056 1.276882 2.184724
H 3.568966 -0.026498 1.324153
H 0.655242 0.753175 0.860057
H -3.470913 -2.934017 -1.300895
H 0.830762 -3.268051 -0.886147
H -1.403760 -4.239755 -1.598997
H -5.666981 1.492467 0.335264
H -1.046772 2.995366 1.614735
H 6.806822 1.556123 -1.714382
H 7.377086 0.698303 -0.237671
H 6.360622 2.157689 -0.079677
H 6.367147 -1.431418 -0.882355
H 5.676171 -0.810650 -2.421221
H 4.599866 -1.522264 -1.149145
H -5.000391 -1.784243 -1.000067
H -5.733539 -0.308733 -0.453762
H -5.336699 3.709499 1.347576
H -3.032515 4.490780 2.000473


