%chk=000063502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063502

0 1
 O   -2.988600      -1.645200       1.555100    
 N   5.3500000E-02  -1.179300      1.5100000E-02
 N    2.727100     -0.1740000      1.3700000E-02
 N   -2.293000     -0.9849000     -0.5697000    
 N   -3.544300      0.6043000      -1.819600    
 C   0.4034000      6.0000003E-04 -0.7849000    
 C    1.193700      -2.102700      6.8200000E-02
 C    1.598300      0.7414000     -0.1795000    
 C    2.414100      -1.432100      0.7031000    
 C   -1.121800      -1.847400     -0.5427000    
 C    4.023200      0.3389000      0.1377000    
 C    5.141800     -0.4027000     -0.2921000    
 C    4.248900       1.613500      0.6948000    
 C   -3.144200     -0.9755000      0.5384000    
 C   -2.540900     -0.1980000      -1.679600    
 C    6.433400      0.1095000     -0.1698000    
 C   -4.308300     -6.8000004E-02  0.4174000    
 C    5.540500       2.125700      0.8171000    
 C    6.632900       1.373700      0.3848000    
 C   -4.459000      0.6832000     -0.7560000    
 C    7.601500     -0.6941000     -0.6315000    
 C   -5.237400      3.3799998E-02   1.458100    
 C   -5.558800       1.540700     -0.8708000    
 C   -6.327500      0.8931000       1.327500    
 C   -6.488400       1.645400      0.1654000    
 H  -0.4074000      0.7343000     -0.7985000    
 H   0.6310000     -0.2790000      -1.822100    
 H    1.452800      -2.458200     -0.9383000    
 H   0.9361000      -2.983100      0.6695000    
 H    1.873800       1.557300     -0.8594000    
 H    1.309800       1.184300      0.7826000    
 H    2.221600      -1.223600       1.763600    
 H    3.252000      -2.137300      0.6593000    
 H  -0.9228000      -2.195200      -1.565300    
 H   -1.360900      -2.731900      5.9900001E-02
 H    4.997100      -1.384100     -0.7401000    
 H    3.423800       2.223300       1.054200    
 H   -1.808000     -0.3059000      -2.493900    
 H    5.696100       3.109100       1.251200    
 H    7.634000       1.784800      0.4845000    
 H    7.430800      -1.764000     -0.4704000    
 H    7.777800     -0.5223000      -1.698000    
 H    8.509900     -0.4286000     -8.0100000E-02
 H   -5.129500     -0.5442000       2.371500    
 H   -5.698600       2.134400      -1.771100    
 H   -7.052200      0.9765000       2.132300    
 H   -7.338300       2.314300      6.5399997E-02


%chk=000063502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063502

0 1
O -2.123915 -1.942817 0.830026
N 0.047737 -0.972776 -1.300179
N 2.656799 -0.062674 -0.539173
N -2.410730 -0.780193 -1.187720
N -4.120652 0.895158 -1.517098
C 0.805102 -0.077228 -2.188614
C 0.902779 -1.830817 -0.457315
C 1.795951 0.787752 -1.381373
C 1.872734 -0.953445 0.351699
C -1.212623 -1.502466 -1.761015
C 3.932649 0.412345 -0.133895
C 4.846244 -0.449879 0.545614
C 4.363763 1.742314 -0.420964
C -2.763048 -1.068697 0.167235
C -3.101179 0.168715 -1.938712
C 6.138400 -0.023120 0.923597
C -3.901054 -0.276329 0.670474
C 5.657424 2.167344 -0.051923
C 6.546613 1.302643 0.619645
C -4.539940 0.682165 -0.185999
C 7.095937 -0.986924 1.607068
C -4.361446 -0.459762 2.000924
C -5.632653 1.442549 0.315063
C -5.441715 0.298281 2.480820
C -6.076692 1.251210 1.633515
H 0.105011 0.594714 -2.719618
H 1.382060 -0.653146 -2.953265
H 1.494786 -2.550796 -1.072264
H 0.251469 -2.388612 0.236795
H 2.422109 1.346866 -2.097234
H 1.221071 1.520705 -0.767857
H 1.278426 -0.344721 1.070866
H 2.550478 -1.597487 0.931658
H -1.324426 -1.431932 -2.861826
H -1.323780 -2.556684 -1.454725
H 4.560183 -1.486359 0.757934
H 3.690214 2.458213 -0.900541
H -2.750524 0.301390 -2.969046
H 5.963528 3.196027 -0.276766
H 7.545528 1.648554 0.909235
H 6.556757 -1.749566 2.196480
H 7.718602 -1.522597 0.864000
H 7.784240 -0.453941 2.286835
H -3.852173 -1.198935 2.627964
H -6.104647 2.167431 -0.354812
H -5.797590 0.158903 3.507044
H -6.918807 1.839424 2.014445


