%chk=000158126.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158126

0 1
 O   0.1440000       1.345100     -0.3026000    
 O    1.406800       3.075600      0.5687000    
 O   -5.387400      -2.158600      0.6869000    
 O   -3.881600      -1.606000       2.185500    
 N   -4.401900      -1.472800       1.051400    
 C    3.539900      0.8509000      0.5996000    
 C    2.607300     -0.1899000      8.1400000E-02
 C    2.482400       1.215600     -0.4006000    
 C    3.364700       1.261800       2.023100    
 C    4.959400      0.8886000      0.1396000    
 C    3.098700      -1.204600     -0.8701000    
 C    1.299200       1.991600      1.3500000E-02
 C    3.692500      -2.380000     -0.5874000    
 C    4.138500      -3.309300      -1.681800    
 C    3.960600      -2.866300      0.8088000    
 C   -1.060400       2.026000      6.3400000E-02
 C   -2.238500       1.192800     -0.3484000    
 C   -2.764000      0.2579000      0.5366000    
 C   -2.793300       1.362800      -1.611900    
 C   -3.858500     -0.5170000      0.1529000    
 C   -3.887800      0.5879000      -1.995500    
 C   -4.420500     -0.3520000      -1.113000    
 H    1.835000     -0.5629000      0.7476000    
 H    2.820700       1.450500      -1.405700    
 H    2.339700       1.130900       2.387400    
 H    4.010900      0.6614000       2.673400    
 H    3.638900       2.313500       2.159000    
 H    5.556600      0.1388000      0.6698000    
 H    5.070000      0.7077000     -0.9351000    
 H    5.399400       1.871500      0.3427000    
 H    2.944100     -0.9637000      -1.920900    
 H    5.218300      -3.478900      -1.618000    
 H    3.628700      -4.274000      -1.591200    
 H    3.923200      -2.912000      -2.679400    
 H    3.448300      -3.818400      0.9818000    
 H    5.034900      -3.019300      0.9547000    
 H    3.620900      -2.165100       1.576500    
 H   -1.097000       3.004900     -0.4309000    
 H   -1.075000       2.195700       1.147400    
 H   -2.306400      0.1464000       1.516700    
 H   -2.384900       2.090200      -2.308000    
 H   -4.324700      0.7162000      -2.981500    
 H   -5.273400     -0.9378000      -1.446100    


%chk=000158126-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158126

0 1
O 0.537007 1.418704 0.677772
O 0.764861 2.657203 -1.290128
O -5.174958 -2.358791 0.334319
O -4.019255 -1.793272 2.216658
N -4.294916 -1.653143 0.962518
C 3.658073 1.129758 0.579047
C 2.943274 -0.141509 0.096191
C 2.600081 1.240518 -0.569448
C 3.335771 1.651770 1.977351
C 5.103197 1.393937 0.153999
C 3.596628 -1.208090 -0.705613
C 1.256799 1.850337 -0.458813
C 3.260802 -2.533297 -0.727256
C 4.035343 -3.513865 -1.592235
C 2.130412 -3.154122 0.073995
C -0.837832 1.999735 0.841179
C -1.881146 1.148850 0.146158
C -2.589755 0.162037 0.867484
C -2.162045 1.335808 -1.234727
C -3.554122 -0.618479 0.196247
C -3.132647 0.542114 -1.886041
C -3.842626 -0.447589 -1.174731
H 2.151739 -0.474945 0.774982
H 3.029118 1.421038 -1.560487
H 2.290335 1.452316 2.261799
H 3.997440 1.162136 2.716697
H 3.509324 2.743144 2.039863
H 5.802678 0.843380 0.810907
H 5.304598 1.086287 -0.886124
H 5.334148 2.472137 0.235669
H 4.435410 -0.889457 -1.342076
H 4.476727 -4.323490 -0.977082
H 3.368309 -4.005697 -2.328223
H 4.852663 -3.020877 -2.146765
H 1.432829 -3.693133 -0.597106
H 2.523982 -3.906202 0.786713
H 1.542652 -2.420189 0.647872
H -0.826732 3.028049 0.440698
H -0.981993 2.008609 1.932810
H -2.407999 -0.013293 1.932221
H -1.600638 2.096610 -1.787403
H -3.338105 0.696676 -2.949920
H -4.601131 -1.076015 -1.648670


