%chk=000106570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106570

0 1
 O   -4.503800       1.147800      0.2213000    
 O  -0.5858000      -1.948600      0.3684000    
 O    4.295300      -1.265600      0.2313000    
 O    4.591200      0.8904000     -5.7900000E-02
 N   -1.753000      0.6002000      4.1800000E-02
 N    3.843100     -0.1058000      8.1799999E-02
 C   -2.513800      0.2004000       1.233700    
 C   -2.342800       1.694300     -0.7374000    
 C  -0.3661000      0.4203000      5.2499998E-02
 C   -3.976700     -1.3700000E-02  0.8621000    
 C   -3.815700       1.401900      -1.002800    
 C   0.2134000     -0.8551000      0.2159000    
 C   0.4992000       1.522800     -0.1021000    
 C    1.884100       1.357600     -9.3400002E-02
 C    1.598500      -1.020300      0.2245000    
 C    2.433800      8.6000003E-02  6.9899999E-02
 C    2.751400       2.563400     -0.2613000    
 C  -0.4614000      -2.982300     -0.6058000    
 C   -1.790600      -3.693700     -0.7425000    
 H   -2.439500       1.008300       1.972900    
 H   -2.133200     -0.7083000       1.708100    
 H   -1.831000       1.818800      -1.698900    
 H   -2.256700       2.628800     -0.1694000    
 H   -4.098600     -0.8820000      0.2032000    
 H   -4.568200     -0.1962000       1.764800    
 H   -4.287500       2.265800      -1.481700    
 H   -3.937300      0.5429000      -1.673900    
 H   9.0000004E-02   2.524100     -0.2165000    
 H    2.003300      -2.019800      0.3638000    
 H    3.364200       2.754600      0.6259000    
 H    3.347200       2.515700      -1.178800    
 H    2.134200       3.464300     -0.3749000    
 H  -0.1708000      -2.571300      -1.580700    
 H   0.3066000      -3.691100     -0.2775000    
 H   -1.728100      -4.503000      -1.475200    
 H   -2.105500      -4.111100      0.2196000    
 H   -2.571500      -2.992500      -1.055400    


%chk=000106570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106570

0 1
O -4.681159 1.295647 0.100682
O -0.825773 -1.882144 -0.072641
O 4.131628 -1.496807 -0.287423
O 4.667181 0.715654 -0.396354
N -1.829834 0.760474 0.021965
N 3.792916 -0.239861 -0.300045
C -2.731983 0.005906 0.936163
C -2.356063 2.104986 -0.307178
C -0.449199 0.518716 -0.018726
C -4.153619 -0.056026 0.359168
C -3.796441 1.985522 -0.845804
C 0.095570 -0.820628 -0.062383
C 0.485564 1.592628 -0.083842
C 1.886619 1.434893 -0.181474
C 1.477865 -1.010148 -0.143772
C 2.368620 0.093858 -0.205318
C 2.751963 2.679428 -0.224531
C -0.293480 -3.255266 -0.228417
C -1.494692 -4.195488 -0.268429
H -2.761681 0.525438 1.919492
H -2.339890 -1.010351 1.078257
H -1.730144 2.565522 -1.091215
H -2.347267 2.768236 0.586837
H -4.153446 -0.645799 -0.582387
H -4.849606 -0.510276 1.082932
H -4.235828 2.985946 -0.992693
H -3.782020 1.439720 -1.814197
H 0.105751 2.616023 -0.019462
H 1.924133 -2.005186 -0.190820
H 3.483756 2.696987 0.601239
H 3.353154 2.722357 -1.148974
H 2.119940 3.582229 -0.164385
H 0.295149 -3.309424 -1.166024
H 0.375263 -3.487611 0.624500
H -1.149698 -5.236662 -0.401673
H -2.072135 -4.140288 0.670464
H -2.163215 -3.940203 -1.108135


