%chk=000058947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058947

0 1
 O    5.683600       1.549000     -7.1800001E-02
 O    6.844100     -0.5615000      8.9999996E-03
 O  -0.7910000      4.6799999E-02  1.7700000E-02
 O   -3.738000       3.121400      5.7700001E-02
 O   0.8311000       1.664100     -5.4699998E-02
 N    1.344400     -0.6178000      3.6400001E-02
 N   -5.291100       1.384000      4.5200001E-02
 N   -1.700000       1.096700     -2.1299999E-02
 C   -3.712300     -0.3112000     -2.0400001E-02
 C    4.829200      0.4907000     -2.3900000E-02
 C    5.492000     -0.7144000      2.2200000E-02
 C   -3.024000      0.8294000     -5.4000001E-03
 C   -5.117500      0.1042000      1.2700000E-02
 C    2.757800     -0.6392000      3.0600000E-02
 C    3.451300      0.5622000     -2.0900000E-02
 C    4.813300      -1.914600      7.3700003E-02
 C    3.417000      -1.870200      7.7699997E-02
 C    6.958400      0.8748000     -5.0099999E-02
 C   -3.346100      -1.693200     -5.8400001E-02
 C   -4.025100       1.934000      3.6600001E-02
 C   -6.140400     -0.9621000      5.5999998E-03
 C   -4.321400      -2.616300     -6.3000001E-02
 C   -5.725000      -2.239200     -3.0600000E-02
 C   0.5097000      0.4826000     -4.9000001E-03
 H    3.006900       1.544300     -5.9000000E-02
 H    5.339200      -2.861900      0.1096000    
 H    2.857200      -2.801200      0.1177000    
 H    7.522100       1.218300      0.8249000    
 H    7.514000       1.145700     -0.9552000    
 H   -2.306100      -1.992500     -8.4299996E-02
 H   -7.188100     -0.6912000      2.9600000E-02
 H   0.8878000      -1.525900      7.5300001E-02
 H   -1.358800       2.046800      6.3699998E-02
 H   -4.084200      -3.674300     -9.2000000E-02
 H   -6.450700      -3.046200     -3.6800001E-02


%chk=000058947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058947

0 1
O 5.879229 1.652186 -0.003183
O 7.069372 -0.436956 0.003856
O -0.765387 -0.169790 0.001516
O -3.537656 3.115408 -0.009998
O 0.783981 1.631263 -0.002236
N 1.458178 -0.655195 0.001786
N -5.312019 1.478204 -0.009308
N -1.743199 0.901987 -0.003164
C -3.872702 -0.473267 -0.002661
C 4.974552 0.569401 -0.000087
C 5.673650 -0.657296 0.004048
C -3.035811 0.660065 -0.004324
C -5.233763 0.090767 -0.005768
C 2.889008 -0.595996 0.002512
C 3.582784 0.649778 -0.001108
C 4.999035 -1.879297 0.007435
C 3.580860 -1.833903 0.006699
C 7.238578 1.043572 -0.000011
C -3.640995 -1.881093 0.001509
C -4.025093 1.949829 -0.009085
C -6.333360 -0.812660 -0.004510
C -4.747406 -2.737902 0.002566
C -6.077735 -2.193798 -0.000465
C 0.591525 0.397202 -0.000010
H 3.056554 1.605098 -0.004473
H 5.537376 -2.829547 0.010579
H 3.019768 -2.775350 0.009438
H 7.765366 1.347613 0.920197
H 7.767386 1.342551 -0.920695
H -2.620141 -2.276860 0.003658
H -7.353313 -0.418471 -0.006623
H 1.033593 -1.586059 0.003368
H -1.326964 1.853090 -0.004449
H -4.609788 -3.823540 0.005655
H -6.926163 -2.888935 0.000536


