%chk=000103633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103633

0 1
 O   -4.020600      0.7657000      -1.347700    
 O    3.924300       1.026300       1.612400    
 N   -3.099700     -0.2048000      0.5509000    
 N    2.861900       1.185300     -0.4468000    
 N   -5.231400      0.6438000      0.6417000    
 N    5.122200      0.7872000     -0.3741000    
 C   0.5660000      0.3161000     -0.4240000    
 C   0.1127000      -2.242800      9.6900001E-02
 C    1.091000      -1.039500      0.1162000    
 C  -0.8409000      0.6138000      0.1356000    
 C   -1.820600     -0.5518000     -2.2900000E-02
 C   -1.272200      -1.822500      0.6324000    
 C    1.528900       1.428000      5.3100001E-02
 C   0.5615000      0.3668000      -1.962900    
 C   0.6842000      -3.340700       1.023800    
 C  -1.2400000E-02  -2.869300      -1.304000    
 C   -4.109800      0.4339000     -0.1660000    
 C   -6.561500      0.6750000      0.1081000    
 C   -5.935100       1.892500      0.6615000    
 C    3.966600       1.001500      0.3828000    
 C    6.421100       1.180600      8.7399997E-02
 C    6.063700     -0.2452000     -5.4299999E-02
 H    2.014600      -1.326200     -0.4045000    
 H    1.384100     -0.8800000       1.164600    
 H  -0.7632000      0.8601000       1.204400    
 H   -1.250000       1.512900     -0.3448000    
 H   -1.991900     -0.7406000      -1.087500    
 H   -1.991000      -2.643100      0.5034000    
 H   -1.205700      -1.655900       1.717200    
 H    1.217700       2.408900     -0.3250000    
 H    1.545500       1.492700       1.147000    
 H    1.474100     -5.9999999E-02  -2.392700    
 H  -0.2799000     -0.1761000      -2.397200    
 H   0.4705000       1.397800      -2.325800    
 H    1.669500      -3.674700      0.6790000    
 H   2.5200000E-02  -4.215900       1.055600    
 H   0.7973000      -2.977500       2.051600    
 H  -0.5282000      -2.224300      -2.015700    
 H  -0.5827000      -3.805000      -1.263600    
 H   0.9738000      -3.104500      -1.719800    
 H   -3.252000     -0.3672000       1.541900    
 H    3.028400       1.234500      -1.447100    
 H   -7.275100      0.1311000      0.7094000    
 H   -6.638500      0.5616000     -0.9634000    
 H   -5.558000       2.646300     -1.4500000E-02
 H   -6.202100       2.215900       1.656800    
 H    6.453700       1.620900       1.073300    
 H    7.021100       1.650700     -0.6778000    
 H    5.833800     -0.8225000      0.8295000    
 H    6.408500     -0.7909000     -0.9202000    


%chk=000103633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103633

0 1
O -3.776935 1.362101 -1.246295
O 3.902810 -0.014335 1.650160
N -3.097538 0.059676 0.578026
N 3.099025 1.023413 -0.296583
N -5.093157 1.275004 0.744872
N 5.318261 0.288196 -0.250868
C 0.660099 0.263526 -0.407014
C -0.083927 -2.285874 -0.083748
C 1.024057 -1.190053 0.030788
C -0.705868 0.673492 0.217648
C -1.822420 -0.373157 -0.027157
C -1.410789 -1.751694 0.532805
C 1.729574 1.240431 0.187343
C 0.631333 0.454734 -1.949349
C 0.383795 -3.517445 0.740808
C -0.317566 -2.765580 -1.543800
C -3.966902 0.910819 -0.076032
C -6.294277 0.369566 0.882321
C -6.367765 1.670711 0.086776
C 4.077404 0.419647 0.472269
C 6.308257 1.429617 -0.315886
C 6.587985 0.183576 0.519531
H 1.921549 -1.527093 -0.524977
H 1.330421 -1.141621 1.095767
H -0.584478 0.795312 1.315546
H -1.035529 1.648975 -0.189096
H -2.015986 -0.443514 -1.112663
H -2.224484 -2.483608 0.359451
H -1.278524 -1.662772 1.633707
H 1.428856 2.282453 -0.045516
H 1.764400 1.128169 1.285722
H 1.533325 0.023731 -2.423202
H -0.243623 -0.021505 -2.419022
H 0.582495 1.531630 -2.204034
H 1.324800 -3.931352 0.331847
H -0.377359 -4.320968 0.719823
H 0.567914 -3.246064 1.797332
H -0.779722 -1.997650 -2.185870
H -0.985243 -3.648462 -1.552108
H 0.639421 -3.062207 -2.012530
H -3.263307 -0.129203 1.568742
H 3.328090 1.238034 -1.267982
H -6.731982 0.312865 1.884168
H -6.293169 -0.568983 0.313824
H -6.394871 1.605091 -1.006957
H -6.863171 2.544628 0.520087
H 6.058253 2.351500 0.224051
H 6.806467 1.568319 -1.280701
H 6.506632 0.265322 1.609424
H 7.292768 -0.568499 0.152751


