%chk=000029636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029636

0 1
 O    2.361900      -1.270300     -0.6811000    
 O    3.029300       1.032400      0.7177000    
 O   -2.709900      -1.142400     -0.9805000    
 O   -5.123500     -0.6414000     -0.1138000    
 O   -5.607800       1.621900     -0.1575000    
 N   -1.635200       2.191900       1.055800    
 C    3.690200      -3.169700     -0.1322000    
 C    4.999500       2.119000     -6.4199999E-02
 C    4.499600      -2.996700       1.119500    
 C    3.964200      -4.349900      0.7531000    
 C    5.458600       1.424200      -1.312300    
 C    5.624300       2.909400      -1.176300    
 C    2.311100      -2.608400     -0.1907000    
 C    3.538900       2.257900      0.1962000    
 C    1.389600     -0.4168000     -0.2523000    
 C    1.725100      0.7408000      0.4504000    
 C   5.3599998E-02 -0.7116000     -0.5227000    
 C   0.7261000       1.612200      0.8882000    
 C  -0.9460000      0.1612000     -8.4700003E-02
 C  -0.6183000       1.331500      0.6257000    
 C   -2.378400     -0.1371000     -0.3648000    
 C   -3.389600      0.8397000      0.1351000    
 C   -2.949600       1.916600      0.7989000    
 C   -4.830900      0.6834000     -6.1299998E-02
 C   -6.506100     -0.9588000     -0.3044000    
 C   -6.676600      -2.438700     -0.3418000    
 H    4.203100      -3.128500      -1.085000    
 H    5.575500       1.968800      0.8403000    
 H    5.564100      -2.828700       1.010900    
 H    4.051000      -2.488100       1.964000    
 H    3.155700      -4.751000       1.351800    
 H    4.669700      -5.092100      0.3999000    
 H    6.347700      0.8090000      -1.248100    
 H    4.713300       1.061300      -2.009500    
 H    4.993100       3.544500      -1.785500    
 H    6.625600       3.292500      -1.020900    
 H    1.710100      -3.208800     -0.8832000    
 H    1.831700      -2.644300      0.7968000    
 H    3.379700       3.048100      0.9387000    
 H    3.005000       2.539400     -0.7214000    
 H  -0.2020000      -1.609900      -1.078000    
 H   0.9893000       2.509600       1.443600    
 H   -1.404100       3.032900       1.567500    
 H   -3.612700       2.674900       1.200000    
 H   -6.850500     -0.5191000      -1.247400    
 H   -7.090500     -0.5360000      0.5207000    
 H   -7.725200      -2.713300     -0.4874000    
 H   -6.322400      -2.896000      0.5883000    
 H   -6.085200      -2.879200      -1.151700    


%chk=000029636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029636

0 1
O 2.574322 -1.442030 -0.037180
O 3.209490 1.121953 -0.013721
O -2.585208 -1.663658 -0.004992
O -5.222537 -0.785649 0.026650
O -5.597190 1.507792 0.072415
N -1.562742 2.372711 0.048028
C 3.550989 -3.645043 -0.139619
C 5.129224 2.574552 0.078553
C 4.305389 -3.945510 1.161620
C 3.589878 -5.080765 0.414611
C 5.922922 2.477652 -1.229498
C 5.857933 3.813250 -0.474083
C 2.248008 -2.889242 -0.096878
C 3.622714 2.544233 0.048645
C 1.497476 -0.557708 -0.021657
C 1.846717 0.844397 -0.003928
C 0.145437 -0.927178 -0.018558
C 0.829903 1.816678 0.019680
C -0.890920 0.042524 0.005208
C -0.531941 1.413867 0.023949
C -2.316925 -0.416741 0.010883
C -3.310462 0.683095 0.036386
C -2.882953 2.010898 0.053640
C -4.792420 0.529511 0.047144
C -6.704648 -0.982157 0.037472
C -6.933639 -2.489854 0.012878
H 4.160435 -3.438790 -1.025418
H 5.567098 2.090632 0.957358
H 5.397860 -3.913671 1.138391
H 3.864823 -3.585906 2.096387
H 2.674173 -5.487738 0.855800
H 4.194675 -5.818844 -0.118904
H 6.860968 1.916944 -1.216749
H 5.355773 2.382442 -2.160350
H 5.255325 4.618598 -0.907161
H 6.750079 4.158915 0.054579
H 1.638791 -3.079451 -1.004294
H 1.651494 -3.167956 0.796696
H 3.193355 3.001632 0.964811
H 3.231070 3.081664 -0.841179
H -0.180250 -1.971495 -0.030723
H 1.078683 2.882612 0.031951
H -1.314201 3.362802 0.062145
H -3.629133 2.811035 0.072842
H -7.132464 -0.469994 -0.843863
H -7.115190 -0.501606 0.944450
H -8.017895 -2.706453 0.019645
H -6.472310 -2.969211 0.892691
H -6.489878 -2.937440 -0.892351


