%chk=000126086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126086

0 1
 O    3.808100       2.372500       1.033400    
 O    5.005500      -1.783000     -0.7041000    
 O   -3.973200      -1.817800       1.598300    
 O   -4.913700       1.763200      -1.232500    
 N    1.854400     -0.2567000     -0.2779000    
 N   -1.862600      0.2264000     -0.3551000    
 N    4.461600      0.3433000      8.3099999E-02
 N   -4.501400     -9.3000002E-02  0.1169000    
 C   0.4538000     -0.6786000     -0.2304000    
 C  -0.4383000      0.5598000     -0.4039000    
 C    2.122600      0.7189000      0.7739000    
 C    2.733400      -1.409300     -0.1098000    
 C   0.2264000      -1.736800      -1.309800    
 C   -2.188800     -0.4041000      0.9201000    
 C   -2.667900       1.431500     -0.5237000    
 C    3.532400       1.241600      0.6268000    
 C    4.167400     -0.9750000     -0.2970000    
 C   -3.628700     -0.8612000      0.9008000    
 C   -4.126600       1.049500     -0.6063000    
 C    5.843500      0.7824000     -7.1000002E-02
 C   -5.908200     -0.4735000      6.8200000E-02
 H   0.2872000      -1.142900      0.7477000    
 H  -0.2090000       1.035100      -1.367300    
 H  -0.2815000       1.306700      0.3777000    
 H    1.999700      0.3072000       1.782800    
 H    1.525700       1.628300      0.6867000    
 H    2.587700      -2.168400     -0.8838000    
 H    2.633300      -1.884000      0.8739000    
 H   0.6518000      -1.437200      -2.274900    
 H   0.6293000      -2.715800      -1.030200    
 H  -0.8428000      -1.908700      -1.476000    
 H   -2.039700      0.2628000       1.777800    
 H   -1.626700      -1.326000       1.088700    
 H   -2.410200       1.927700      -1.467100    
 H   -2.538300       2.149600      0.2951000    
 H    6.223200      0.4672000      -1.048000    
 H    6.444200      0.2995000      0.7062000    
 H    5.939500       1.867200      2.0600000E-02
 H   -6.476300      0.2402000      0.6731000    
 H   -6.071200      -1.483100      0.4533000    
 H   -6.269100     -0.4176000     -0.9635000    


%chk=000126086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126086

0 1
O 3.882979 1.831853 1.918502
O 5.229297 -1.262001 -1.298203
O -4.091011 -0.934043 2.348146
O -5.097467 1.016806 -1.766259
N 1.886855 -0.317462 -0.221760
N -1.872190 0.217928 -0.283459
N 4.567105 0.355235 0.237119
N -4.603090 -0.046208 0.244337
C 0.455151 -0.751324 -0.319840
C -0.433714 0.516008 -0.485134
C 2.225912 0.236256 1.105179
C 2.894484 -1.330901 -0.589961
C 0.190944 -1.704149 -1.499906
C -2.269971 0.140890 1.133327
C -2.773913 1.119321 -1.022912
C 3.604982 0.891835 1.128492
C 4.311043 -0.757728 -0.599328
C -3.709397 -0.339955 1.306118
C -4.237233 0.699273 -0.903654
C 5.930923 0.937057 0.205519
C -6.017095 -0.483799 0.349569
H 0.159456 -1.284202 0.620381
H -0.292709 0.884155 -1.517560
H -0.090121 1.332870 0.192740
H 2.209390 -0.547009 1.910550
H 1.510288 1.016883 1.404185
H 2.714838 -1.712197 -1.604852
H 2.899297 -2.216278 0.100882
H 0.569106 -1.275551 -2.446776
H 0.642009 -2.700873 -1.355055
H -0.900969 -1.834663 -1.590736
H -2.178485 1.128051 1.661566
H -1.634839 -0.575242 1.678151
H -2.526590 1.105814 -2.097038
H -2.704469 2.186752 -0.682688
H 6.156796 1.304528 -0.808489
H 6.673656 0.166809 0.468595
H 5.958964 1.762667 0.930808
H -6.684539 0.392318 0.317766
H -6.131166 -1.019931 1.302363
H -6.268005 -1.141895 -0.497883


