%chk=000060420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060420

0 1
 O   -3.833600     -0.6164000     -7.0600003E-02
 O    6.004300     -0.7560000     -0.6585000    
 O   -6.180300      -2.082600      0.2337000    
 N   -8.746300       1.986800      0.2863000    
 C    1.091800     -0.6812000     -0.4272000    
 C  -0.1605000      0.1978000     -0.4173000    
 C    2.362800      0.1621000     -0.5409000    
 C   -1.429600     -0.6454000     -0.2634000    
 C    3.614200     -0.7127000     -0.5174000    
 C   -2.689500      0.2108000     -0.2246000    
 C    4.881700      0.1152000     -0.6734000    
 C   -5.047100      1.5500000E-02  1.8700000E-02
 C    7.171700     -0.2519000     -0.1469000    
 C   -6.221100     -0.7224000      0.1708000    
 C   -5.101700       1.407900     -4.4199999E-02
 C   -7.449500     -6.7699999E-02  0.2602000    
 C   -6.330200       2.062500      4.4799998E-02
 C   -7.504100       1.324700      0.1970000    
 C    7.448100       1.111300     -0.2513000    
 C    8.084200      -1.102700      0.4770000    
 C    8.637000       1.623700      0.2682000    
 C    9.272900     -0.5904000      0.9967000    
 C    9.549300      0.7729000      0.8924000    
 C   -7.424700      -2.761700      0.3899000    
 H    1.040200      -1.386100      -1.265800    
 H    1.129100      -1.276100      0.4936000    
 H  -9.7900003E-02  0.9170000      0.4083000    
 H  -0.2131000      0.7757000      -1.347700    
 H    2.403200      0.8814000      0.2861000    
 H    2.334700      0.7412000      -1.471900    
 H   -1.506700      -1.365500      -1.087700    
 H   -1.374900      -1.246400      0.6531000    
 H    3.662700      -1.281700      0.4195000    
 H    3.569700      -1.459900      -1.319700    
 H   -2.597500      0.8966000      0.6273000    
 H   -2.750700      0.7723000      -1.165500    
 H    4.912100      0.8346000      0.1554000    
 H    4.864300      0.6585000      -1.625200    
 H   -4.234700       2.047800     -0.1649000    
 H   -8.394700     -0.5876000      0.3790000    
 H   -6.360900       3.148000     -6.6000000E-03
 H    6.779000       1.802700     -0.7550000    
 H    7.874200      -2.165500      0.5609000    
 H    8.855900       2.683900      0.1812000    
 H    9.983500      -1.252800       1.482200    
 H    10.47560       1.171600       1.295600    
 H   -8.785600       2.996400      0.2414000    
 H   -9.598500       1.453700      0.3976000    
 H   -7.204400      -3.833900      0.4208000    
 H   -8.084700      -2.598400     -0.4689000    
 H   -7.906000      -2.509500       1.341000    


%chk=000060420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060420

0 1
O -3.948425 -0.418606 0.017652
O 6.013848 -0.806643 0.002607
O -6.055385 -2.021704 0.264889
N -9.174108 1.763664 -0.277676
C 1.032951 -0.529255 -0.011588
C -0.222537 0.369770 -0.065688
C 2.354490 0.270844 -0.046764
C -1.537654 -0.439510 0.000065
C 3.602830 -0.640285 -0.010526
C -2.774546 0.457091 -0.097070
C 4.904409 0.163999 -0.029432
C -5.212143 0.198247 -0.063200
C 7.326063 -0.306924 -0.004144
C -6.346444 -0.663920 0.066817
C -5.434531 1.576603 -0.260000
C -7.652965 -0.136909 -0.005104
C -6.742646 2.109099 -0.333130
C -7.867563 1.258128 -0.207446
C 7.660636 1.070694 -0.041661
C 8.348581 -1.289013 0.030635
C 9.023468 1.451610 -0.043892
C 9.699905 -0.892835 0.027887
C 10.047917 0.480820 -0.009309
C -7.186286 -2.935070 0.415471
H 1.011310 -1.239748 -0.863399
H 1.002496 -1.146610 0.909778
H -0.189393 1.094321 0.774940
H -0.199799 0.971469 -0.998706
H 2.378696 0.971808 0.813904
H 2.376886 0.898318 -0.962452
H -1.570640 -1.180676 -0.821299
H -1.586318 -1.009753 0.947361
H 3.585419 -1.270567 0.899231
H 3.595043 -1.328080 -0.877688
H -2.784155 1.210277 0.720863
H -2.796628 0.995813 -1.069494
H 4.970043 0.834130 0.853771
H 4.975997 0.782508 -0.949151
H -4.585769 2.259620 -0.360068
H -8.518856 -0.799865 0.094985
H -6.882660 3.185195 -0.487523
H 6.884471 1.841235 -0.068652
H 8.060285 -2.344473 0.059449
H 9.279490 2.517050 -0.072915
H 10.484678 -1.657222 0.055146
H 11.099684 0.785624 -0.011135
H -9.336813 2.754969 -0.421176
H -9.977793 1.150676 -0.189101
H -6.733759 -3.926571 0.565115
H -7.821580 -2.949234 -0.492725
H -7.806495 -2.672011 1.295650


