%chk=000024070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024070

0 1
 O    5.438200      -1.321100       1.239200    
 O   -2.630900     -0.4478000      0.2258000    
 O   -2.161000      -2.682000     -6.8700001E-02
 N   -6.233000      0.3328000      0.3672000    
 N    3.933700     -0.3034000       2.628800    
 C    3.764900      0.1478000      0.2025000    
 C    3.952000       1.691400      0.4174000    
 C    4.444000     -0.3162000      -1.134500    
 C    2.281300     -0.2955000      0.1695000    
 C    4.471500     -0.5740000       1.387300    
 C    1.959900      -1.642400      1.8000000E-03
 C    1.266700      0.6519000      0.3062000    
 C    5.377700       2.178400      0.3723000    
 C    3.899300      0.3203000      -2.385700    
 C   0.6240000      -2.041900     -2.9300001E-02
 C  -6.9300003E-02  0.2523000      0.2752000    
 C  -0.3907000      -1.094600      0.1075000    
 C   -4.797600      0.5710000      0.3920000    
 C   -6.952600       1.435700       1.009100    
 C   -6.705000      0.1541000      -1.008100    
 C   -4.034100     -0.7315000      0.2123000    
 C   -1.783600      -1.511700      7.5400002E-02
 C    5.852300       3.019700     -0.5535000    
 C    3.422100     -0.3695000      -3.428000    
 C   -6.739400       2.740000      0.2599000    
 C   -8.190300     -0.1638000      -1.041800    
 H    3.381100       2.245800     -0.3389000    
 H    3.542100       2.004000       1.386500    
 H    5.517800     -8.8200003E-02  -1.099000    
 H    4.406200      -1.409600      -1.228400    
 H    2.730800      -2.401800     -9.2799999E-02
 H    1.456500       1.709500      0.4473000    
 H    6.052100       1.828900       1.149400    
 H    3.925600       1.402900      -2.462800    
 H   0.3953000      -3.096600     -0.1578000    
 H  -0.8263000       1.023600      0.3872000    
 H   -4.466700       1.290500     -0.3684000    
 H   -4.484100      0.9928000       1.356900    
 H    4.326400     -0.7214000       3.465700    
 H    3.127600      0.2986000       2.760100    
 H   -6.591800       1.550900       2.039600    
 H   -8.020900       1.221900       1.119400    
 H   -6.206600     -0.7156000      -1.450900    
 H   -6.474100      0.9938000      -1.673100    
 H   -4.269600      -1.213300     -0.7417000    
 H   -4.266600      -1.425000       1.029700    
 H    5.223600       3.406600      -1.347500    
 H    6.889300       3.336000     -0.5267000    
 H    3.383300      -1.453100      -3.421700    
 H    3.058600      0.1480000      -4.309100    
 H   -5.688200       3.026900      0.1680000    
 H   -7.201100       2.751800     -0.7312000    
 H   -7.223200       3.547000      0.8239000    
 H   -8.452000     -0.9541000     -0.3297000    
 H   -8.813300      0.7132000     -0.8422000    
 H   -8.465400     -0.5227000      -2.040100    


%chk=000024070-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000024070

0 1
O 5.884077 -1.033133 1.181071
O -2.665687 -0.274932 0.384630
O -2.194982 -2.557104 0.302356
N -6.330757 0.478618 0.199005
N 4.010864 -0.764067 2.507917
C 3.911704 0.093264 0.158169
C 4.194667 1.629737 0.356532
C 4.513638 -0.402096 -1.208989
C 2.405938 -0.231117 0.222177
C 4.685489 -0.642390 1.307574
C 1.992448 -1.594289 0.170855
C 1.396128 0.761745 0.314639
C 5.654830 2.023073 0.247835
C 4.040575 0.376926 -2.415961
C 0.633899 -1.948737 0.203808
C 0.028462 0.415306 0.346321
C -0.364819 -0.943314 0.290754
C -4.870037 0.727456 0.230733
C -7.138730 1.505199 0.903785
C -6.822716 0.091532 -1.148822
C -4.122133 -0.598071 0.431835
C -1.794383 -1.366025 0.324722
C 6.107208 3.069235 -0.487421
C 3.230999 -0.114234 -3.387760
C -7.182944 2.913453 0.248688
C -8.228173 -0.536785 -1.128023
H 3.613909 2.200034 -0.391586
H 3.811561 1.924430 1.356202
H 5.612975 -0.327693 -1.112338
H 4.278519 -1.473912 -1.337243
H 2.748626 -2.385829 0.111835
H 1.665475 1.820468 0.356852
H 6.371133 1.419878 0.823043
H 4.421146 1.405273 -2.507315
H 0.319494 -2.996976 0.165830
H -0.740148 1.190363 0.412421
H -4.490547 1.224302 -0.692711
H -4.633296 1.399472 1.075785
H 4.500511 -1.185117 3.297516
H 3.020873 -0.536171 2.592034
H -6.735244 1.593481 1.930676
H -8.169116 1.119783 1.011774
H -6.113286 -0.653455 -1.555966
H -6.809714 0.954622 -1.861502
H -4.349733 -1.338188 -0.355425
H -4.360126 -1.048361 1.410941
H 5.430074 3.695031 -1.083997
H 7.170150 3.333604 -0.511827
H 2.836388 -1.137232 -3.342627
H 2.938704 0.489999 -4.254233
H -6.167975 3.339002 0.141349
H -7.648857 2.883581 -0.753059
H -7.775932 3.606188 0.874457
H -8.258310 -1.381867 -0.417854
H -9.006355 0.190355 -0.834050
H -8.489967 -0.913014 -2.133911


