%chk=000178106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178106

0 1
 O   0.3128000      -2.088700     -0.6921000    
 O    1.895700       2.875100     -0.1454000    
 N    1.444300     -0.3183000      0.2797000    
 N  -0.2257000       2.041600     -0.3626000    
 C    2.765900     -0.8662000      5.5999998E-03
 C    1.387400      0.8893000       1.072500    
 C    2.949500     -0.9773000      -1.510500    
 C    3.815100      7.6499999E-02  0.5997000    
 C    2.869600      -2.251100      0.6505000    
 C   0.3009000     -0.9815000     -0.1526000    
 C   -1.018500     -0.3073000      4.0000002E-03
 C   -1.235300       1.067700     -0.1988000    
 C    1.064100       2.005800      0.1198000    
 C   -2.122600      -1.158800      0.1899000    
 C   -2.555400       1.543600     -0.2791000    
 C   -3.424400     -0.6604000      0.1551000    
 C   -3.641500      0.6889000     -9.3000002E-02
 C   -4.582000      -1.578900      0.3573000    
 H    2.219000       1.151300       1.721500    
 H   0.5533000      0.7938000       1.780800    
 H    2.772500     -1.2300000E-02  -2.000400    
 H    3.973200      -1.286100      -1.753600    
 H    2.285300      -1.708000      -1.980600    
 H    3.834100      7.0600003E-02   1.695900    
 H    3.771500       1.098200      0.2099000    
 H    4.813900     -0.2849000      0.3157000    
 H    2.264600      -3.016600      0.1576000    
 H    3.904600      -2.612400      0.6133000    
 H    2.571900      -2.221200       1.705400    
 H  -0.5062000       2.908400     -0.8149000    
 H   -1.972200      -2.225800      0.3450000    
 H   -2.751100       2.598800     -0.4606000    
 H   -4.649700       1.091200     -0.1424000    
 H   -4.879000      -2.025200     -0.5970000    
 H   -4.329200      -2.381900       1.058100    
 H   -5.442000      -1.046500      0.7776000    


%chk=000178106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178106

0 1
O 0.321336 -2.143545 -0.655767
O 1.837474 3.045173 0.046540
N 1.441858 -0.333716 0.328897
N -0.233504 2.078845 -0.382650
C 2.829667 -0.897067 0.012148
C 1.280094 0.893910 1.138207
C 2.965921 -1.056765 -1.527249
C 3.938472 0.071238 0.495798
C 2.997428 -2.262360 0.732394
C 0.296193 -0.981837 -0.126895
C -1.039164 -0.274501 0.007215
C -1.273202 1.122120 -0.187681
C 1.013501 2.105218 0.239372
C -2.162598 -1.128377 0.170554
C -2.609945 1.601153 -0.239001
C -3.493043 -0.660247 0.142311
C -3.698883 0.728455 -0.076544
C -4.666296 -1.611654 0.294039
H 2.189941 1.098564 1.712498
H 0.445435 0.762614 1.852066
H 2.892274 -0.073248 -2.026070
H 3.955174 -1.490060 -1.762179
H 2.189049 -1.725078 -1.928110
H 4.013614 0.114443 1.598019
H 3.808688 1.094892 0.101561
H 4.903434 -0.314466 0.122784
H 2.249909 -2.984985 0.370880
H 4.008992 -2.662430 0.534196
H 2.881932 -2.142383 1.825521
H -0.456115 2.912174 -0.936795
H -1.956782 -2.198915 0.278071
H -2.785773 2.673204 -0.390462
H -4.719656 1.126902 -0.113612
H -4.962602 -2.034945 -0.685354
H -4.417262 -2.460570 0.954096
H -5.551160 -1.100358 0.712502


