%chk=000121905.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121905

0 1
 O   -1.294800     -0.7564000       1.860800    
 O   0.5061000      0.6074000      -1.408600    
 O   -3.268600     -0.1558000      -1.118500    
 O    3.378000       4.178900      0.8793000    
 O   -5.627400       1.271200       1.174200    
 O   -6.952700       2.355000     -0.3146000    
 N    1.108700     -0.3948000      0.6002000    
 N   -1.921900      -2.140100      0.1041000    
 N   -5.320000     -0.8694000     -0.2916000    
 C   0.4239000      -1.647500      0.4025000    
 C    1.101400      -2.802000       1.149600    
 C    2.317300      -3.330400      0.4283000    
 C   -1.006100      -1.462700      0.8972000    
 C    2.184000      -4.365200     -0.4974000    
 C    3.574200      -2.783600      0.6870000    
 C   -3.349700      -2.092600      0.3233000    
 C    1.090600      0.6336000     -0.3305000    
 C    3.307500      -4.853500      -1.164300    
 C    4.697800      -3.271900      1.9800000E-02
 C    4.564400      -4.306900     -0.9058000    
 C   -3.944700     -0.9417000     -0.4595000    
 C    1.878000       1.815100      0.1281000    
 C    1.965500       2.901900     -0.6537000    
 C   -6.138400      0.1630000     -0.8859000    
 C    2.686100       4.085800     -0.2864000    
 C    2.794100       5.252700      -1.006600    
 C   -6.291500       1.372900     -6.0000003E-04
 C    3.604300       6.118300     -0.2338000    
 C    3.933900       5.418700      0.9036000    
 H   0.4007000      -1.851100     -0.6759000    
 H    1.379200      -2.498800       2.168200    
 H   0.3931000      -3.631100       1.283100    
 H    1.580200     -0.2519000       1.489100    
 H   -1.588700      -2.692500     -0.6805000    
 H    1.209700      -4.797500     -0.7095000    
 H    3.691700      -1.977200       1.405900    
 H   -3.559400      -1.959700       1.389300    
 H   -3.777300      -3.037200     -2.5400000E-02
 H    3.203600      -5.658800      -1.885700    
 H    5.676500      -2.846200      0.2211000    
 H    5.439100      -4.686900      -1.425400    
 H    2.362100       1.766500       1.098100    
 H   -5.782300      -1.555800      0.2980000    
 H    1.465700       2.920200      -1.619000    
 H   -5.688100      0.4784000      -1.831700    
 H   -7.127300     -0.2691000      -1.062200    
 H    2.348700       5.462600      -1.969200    
 H    3.910100       7.125900     -0.4756000    
 H    4.523600       5.649300       1.778700    
 H   -5.741800       2.070500       1.731300    


%chk=000121905-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121905

0 1
O -1.324652 -2.444426 2.110998
O 0.180929 0.406910 -1.087260
O -3.605377 0.282298 -1.328663
O 3.936710 3.649348 0.474215
O -7.879113 0.182654 0.971699
O -8.713243 1.268701 -0.910097
N 1.221575 -0.805047 0.598416
N -1.872037 -1.022242 0.353563
N -5.408743 0.025814 0.105751
C 0.390721 -2.001499 0.363048
C 1.089749 -3.274634 0.894716
C 2.494819 -3.473154 0.343180
C -1.010163 -1.846460 1.031464
C 2.715262 -3.661938 -1.046719
C 3.617139 -3.479151 1.210158
C -3.215619 -0.778080 0.865355
C 1.095050 0.327528 -0.190458
C 4.018960 -3.846778 -1.554912
C 4.926158 -3.664035 0.706080
C 5.131333 -3.847182 -0.679768
C -4.076343 -0.118208 -0.221828
C 2.071672 1.408455 0.077095
C 2.019414 2.573510 -0.641782
C -6.330873 0.671871 -0.828318
C 2.900356 3.701182 -0.497267
C 2.965859 4.933069 -1.153695
C -7.752120 0.757619 -0.304753
C 4.064546 5.673390 -0.586659
C 4.626946 4.867242 0.392812
H 0.235865 -2.064379 -0.731605
H 1.097949 -3.235465 1.999022
H 0.442761 -4.132273 0.632243
H 1.971112 -0.864565 1.290809
H -1.542895 -0.491347 -0.473786
H 1.861101 -3.666290 -1.735613
H 3.462989 -3.354120 2.289886
H -3.190275 -0.121589 1.761277
H -3.660255 -1.735462 1.199300
H 4.169252 -3.991627 -2.630746
H 5.780093 -3.669092 1.393074
H 6.143365 -3.991531 -1.074163
H 2.835821 1.261511 0.850027
H -5.788936 -0.311743 0.992703
H 1.233897 2.660384 -1.404082
H -5.991807 1.697379 -1.073803
H -6.354168 0.135851 -1.797609
H 2.298894 5.259133 -1.949721
H 4.396184 6.671176 -0.865974
H 5.459739 4.983439 1.081046
H -8.820501 0.253453 1.284246


