%chk=000160466.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160466

0 1
 O   -2.720200      -2.011500     -0.6370000    
 O  -0.9271000      -3.373900     -5.4200001E-02
 N  -0.9400000       2.573300     -0.1489000    
 N    1.044300      -1.499300     -0.8819000    
 C   0.7119000      0.8413000     -0.3483000    
 C   5.1700000E-02   1.808900      0.6501000    
 C  -3.0099999E-02 -0.5454000     -0.5761000    
 C  -0.8335000      -1.060600      0.6618000    
 C   -1.610900      9.3199998E-02   1.338900    
 C  -0.5671000       1.095900       1.849500    
 C   0.7034000       1.684200      -1.628400    
 C  -0.6551000       2.363500      -1.576300    
 C    2.105100      0.3740000     -2.1700000E-02
 C   -2.594300      0.8054000      0.4175000    
 C   -2.336800       2.281700      0.2030000    
 C   -1.743900      -2.279700      0.3642000    
 C    2.226400     -0.9763000     -0.3642000    
 C   -3.593600      0.1794000     -0.2261000    
 C    3.185600       1.081700      0.4822000    
 C   -3.850100      -1.288100     -0.1587000    
 C    3.439300      -1.633800     -0.2455000    
 C    4.403900      0.4170000      0.6329000    
 C    4.531400     -0.9309000      0.2674000    
 H   0.7819000       2.538200       1.021400    
 H  -0.6993000     -0.4873000      -1.442000    
 H  -9.8399997E-02  -1.428800       1.394700    
 H   -2.156100     -0.2935000       2.209800    
 H   -1.029000       1.821100       2.532100    
 H   0.2094000      0.5884000       2.435400    
 H   0.8334000       1.093600      -2.541800    
 H    1.497100       2.442900      -1.608600    
 H  -0.6444000       3.316800      -2.114200    
 H   -1.400500       1.719900      -2.059100    
 H   -3.008500       2.709300     -0.5526000    
 H   -2.583500       2.815500       1.130100    
 H   0.9157000      -2.494200     -0.9843000    
 H   -2.235400      -2.613300       1.285600    
 H   -4.251600      0.7535000     -0.8739000    
 H    3.103400       2.131400      0.7414000    
 H   -4.157800      -1.609500      0.8429000    
 H   -4.680200      -1.523400     -0.8337000    
 H    3.545100      -2.674400     -0.5346000    
 H  -0.7733000      -3.251900      -1.005700    
 H    5.265400      0.9512000       1.024400    
 H    5.490100      -1.429900      0.3797000    


%chk=000160466-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160466

0 1
O -2.692461 -2.048013 -0.737796
O -0.855572 -3.339082 -0.159765
N -0.967958 2.590104 -0.142575
N 1.099881 -1.445941 -0.951370
C 0.748681 0.856763 -0.364048
C 0.068598 1.828297 0.652376
C -0.010942 -0.514873 -0.603156
C -0.804957 -1.037064 0.633181
C -1.609129 0.103303 1.338416
C -0.567268 1.120431 1.862385
C 0.690963 1.723588 -1.663371
C -0.717186 2.358173 -1.601904
C 2.158241 0.391458 -0.014626
C -2.630088 0.832311 0.441062
C -2.371729 2.330713 0.293238
C -1.693802 -2.254741 0.315741
C 2.303088 -0.970751 -0.411585
C -3.631765 0.215641 -0.247365
C 3.247809 1.094576 0.521176
C -3.875783 -1.277612 -0.272756
C 3.540739 -1.640189 -0.268651
C 4.495472 0.431377 0.679567
C 4.629546 -0.921482 0.283956
H 0.843294 2.537167 1.007446
H -0.713411 -0.433429 -1.452194
H -0.065358 -1.400511 1.377546
H -2.150853 -0.350270 2.196397
H -1.027455 1.864405 2.537878
H 0.221127 0.603181 2.439731
H 0.853905 1.120633 -2.572544
H 1.476543 2.500071 -1.617907
H -0.773384 3.306137 -2.168415
H -1.471174 1.660366 -2.032946
H -3.054185 2.776559 -0.451868
H -2.552633 2.859835 1.249002
H 0.862572 -2.442728 -0.955662
H -2.240577 -2.561567 1.243317
H -4.294257 0.829791 -0.873019
H 3.146323 2.145937 0.818255
H -4.176314 -1.662135 0.729453
H -4.670561 -1.529488 -0.992971
H 3.659099 -2.685295 -0.575511
H -1.450418 -4.029071 -0.551889
H 5.352025 0.965770 1.104118
H 5.595114 -1.426747 0.406853


