%chk=000115953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115953

0 1
 O    3.906600       1.753900       1.195600    
 O    5.597600      0.9639000     -0.8644000    
 N  -0.1462000      -1.281400      0.5922000    
 N   -2.802100     -0.3638000      7.8800000E-02
 N   -4.244200       1.541700     -0.1126000    
 C  -0.4451000     -0.5170000     -0.6252000    
 C   -1.302200      -2.108400      0.9589000    
 C   -1.650400      0.4022000     -0.4142000    
 C   -2.536900      -1.242800       1.221800    
 C    1.039500      -2.114800      0.3963000    
 C   -4.078400      0.1831000     -9.4800003E-02
 C    2.255100      -1.291300      6.3000001E-02
 C    2.520400     -0.1395000      0.7901000    
 C    3.092500      -1.695600     -0.9673000    
 C   -5.164500     -0.6898000     -0.2474000    
 C    3.646200      0.6238000      0.4806000    
 C    4.218100     -0.9323000      -1.276800    
 C    4.494900      0.2274000     -0.5528000    
 C   -6.439000     -0.1616000     -0.4210000    
 C   -5.497800       2.018400     -0.2835000    
 C   -6.617300       1.217300     -0.4406000    
 C    3.344100       2.971500      0.7108000    
 C    6.809400      0.6351000     -0.1877000    
 H  -0.6504000      -1.196500      -1.464200    
 H   0.3847000      0.1276000     -0.9326000    
 H   -1.082500      -2.676500       1.871000    
 H   -1.527100      -2.835800      0.1671000    
 H   -1.401400       1.195400      0.3025000    
 H   -1.889700      0.8804000      -1.372400    
 H   -3.384200      -1.907300       1.425600    
 H   -2.384300     -0.6299000       2.119500    
 H   0.8581000      -2.861500     -0.3888000    
 H    1.264500      -2.668900       1.317000    
 H    1.875900      0.1735000       1.607400    
 H    2.888200      -2.597000      -1.538000    
 H   -5.030100      -1.767500     -0.2472000    
 H    4.874700      -1.246800      -2.083500    
 H   -7.291300     -0.8230000     -0.5441000    
 H   -5.583100       3.100000     -0.2916000    
 H   -7.601400       1.651100     -0.5754000    
 H    2.251200       2.910600      0.6981000    
 H    3.719700       3.197000     -0.2923000    
 H    3.641800       3.778900       1.385400    
 H    7.592100       1.313500     -0.5377000    
 H    7.108900     -0.3927000     -0.4157000    
 H    6.693900      0.7621000      0.8933000    


%chk=000115953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115953

0 1
O 3.949998 1.569618 1.365846
O 5.915535 0.828851 -0.673516
N -0.236088 -1.236799 0.223617
N -2.913349 -0.179776 0.318378
N -4.485319 1.057764 -0.921725
C -0.725194 -0.324062 -0.841945
C -1.349529 -2.049639 0.761978
C -1.819300 0.604917 -0.292607
C -2.457197 -1.139471 1.335384
C 0.921223 -2.056407 -0.201663
C -4.250891 0.121262 0.061704
C 2.207143 -1.248522 -0.354939
C 2.497742 -0.185885 0.534187
C 3.149465 -1.577303 -1.359633
C -5.341138 -0.497358 0.761406
C 3.709778 0.525898 0.438314
C 4.379624 -0.887884 -1.444205
C 4.678428 0.152059 -0.539525
C -6.657634 -0.151781 0.411072
C -5.769821 1.373533 -1.234914
C -6.898333 0.800312 -0.611407
C 4.093921 2.912440 0.756334
C 6.814334 0.699728 0.497684
H -1.131355 -0.901261 -1.710773
H 0.123069 0.284398 -1.202770
H -0.961062 -2.695914 1.571807
H -1.800943 -2.710446 -0.022437
H -1.370895 1.271696 0.474674
H -2.257491 1.223073 -1.090456
H -3.291632 -1.772168 1.674690
H -2.051010 -0.596423 2.215881
H 0.719813 -2.606801 -1.156037
H 1.074284 -2.830070 0.578561
H 1.763764 0.101960 1.293409
H 2.928594 -2.381396 -2.071875
H -5.172248 -1.217766 1.565478
H 5.126321 -1.142141 -2.203465
H -7.495404 -0.619245 0.940905
H -5.887399 2.125008 -2.025560
H -7.910923 1.090684 -0.904191
H 3.143786 3.213853 0.275527
H 4.910598 2.924619 0.012098
H 4.321479 3.591174 1.592506
H 7.699467 1.308043 0.256480
H 7.109858 -0.358048 0.633692
H 6.324429 1.072376 1.415232


