%chk=000048428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048428

0 1
 O    2.101500      -1.861500      0.1731000    
 O    5.393200       1.144300      -1.082000    
 O    1.215900       2.694800     -3.6899999E-02
 O   -5.132800       1.627600     -7.6399997E-02
 O   -6.069500     -0.9558000      0.3427000    
 N    1.631300      0.4168000      0.2641000    
 N    3.310800       1.901400     -0.4882000    
 C    3.976400     -0.3413000      0.2051000    
 C    4.791700      -1.501400     -0.3876000    
 C    4.385600     -0.1401000       1.675700    
 C    2.489800     -0.6921000      0.1904000    
 C    4.308200      0.9416000     -0.5392000    
 C   0.2238000      0.1645000      0.5493000    
 C    4.498300      -1.674200      -1.861700    
 C    4.118900      -1.387900       2.486800    
 C    1.994200       1.737600     -6.3100003E-02
 C  -0.5987000     -6.3299999E-02 -0.7166000    
 C   -2.062200     -0.2983000     -0.4333000    
 C   -2.927700      0.7833000     -0.3852000    
 C   -2.515000      -1.591900     -0.2262000    
 C   -4.280500      0.5659000     -0.1239000    
 C   -3.867800      -1.809200      3.5599999E-02
 C   -4.750600     -0.7305000      8.6700000E-02
 C   -5.317100       2.254600       1.191200    
 C   -6.917900      -1.185100     -0.7805000    
 H    5.867900      -1.330500     -0.2574000    
 H    4.563600      -2.457700      9.4999999E-02
 H    3.835200      0.6970000       2.124200    
 H    5.449200      0.1217000       1.746800    
 H  -0.1816000       1.015600       1.110300    
 H   0.1453000     -0.7095000       1.208000    
 H    3.550300       2.818600     -0.8545000    
 H    5.040400      -2.549000      -2.239000    
 H    4.823200     -0.8244000      -2.467500    
 H    3.437200      -1.847500      -2.063600    
 H    4.391700      -1.191000       3.530800    
 H    4.726500      -2.241700       2.177400    
 H    3.066200      -1.680800       2.502300    
 H  -0.4952000      0.7944000      -1.394400    
 H  -0.1953000     -0.9158000      -1.279200    
 H   -2.563300       1.794300     -0.5474000    
 H   -1.834700      -2.437900     -0.2619000    
 H   -4.226700      -2.821700      0.1998000    
 H   -4.369900       2.662300       1.558500    
 H   -5.727300       1.544800       1.916400    
 H   -6.027000       3.076800       1.066800    
 H   -6.600700      -2.080800      -1.324000    
 H   -7.936400      -1.340500     -0.4144000    
 H   -6.914800     -0.3186000      -1.449200    


%chk=000048428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048428

0 1
O 2.077323 -1.781933 0.471324
O 5.627896 1.242386 -0.759037
O 1.293250 2.769567 -0.171671
O -5.204927 1.606229 -0.365706
O -6.102240 -1.051346 0.481219
N 1.689929 0.497694 0.276021
N 3.452687 1.945965 -0.427445
C 4.071988 -0.377181 0.248709
C 4.778095 -1.534018 -0.515801
C 4.597064 -0.282325 1.749690
C 2.556013 -0.626646 0.309673
C 4.461223 0.970229 -0.374130
C 0.237081 0.280112 0.526785
C 4.396437 -1.625042 -2.008171
C 4.461377 -1.570239 2.585036
C 2.090119 1.798120 -0.102760
C -0.537944 -0.073463 -0.771097
C -2.007595 -0.322326 -0.467137
C -2.952690 0.728937 -0.555124
C -2.449599 -1.598610 -0.031236
C -4.309778 0.517698 -0.233495
C -3.809206 -1.824541 0.271761
C -4.751229 -0.779798 0.157308
C -5.855413 2.027120 0.897287
C -7.050282 -0.886436 -0.646097
H 5.867838 -1.378614 -0.417603
H 4.515233 -2.479829 -0.013038
H 4.065588 0.548045 2.256646
H 5.661846 0.011510 1.680483
H -0.165402 1.206040 0.967765
H 0.151959 -0.545514 1.251245
H 3.721432 2.879155 -0.757225
H 4.929792 -2.466455 -2.485141
H 4.672724 -0.705902 -2.555557
H 3.313582 -1.806204 -2.137242
H 4.779442 -1.364467 3.623404
H 5.102006 -2.379398 2.195269
H 3.423318 -1.942709 2.609668
H -0.428286 0.761026 -1.487335
H -0.079413 -0.975217 -1.216264
H -2.649404 1.734201 -0.869390
H -1.729844 -2.421737 0.050835
H -4.168906 -2.809849 0.585604
H -5.094156 2.396785 1.610289
H -6.418305 1.191726 1.351515
H -6.535261 2.846058 0.617162
H -6.825139 -1.622530 -1.441135
H -8.046448 -1.085294 -0.222332
H -7.000173 0.136919 -1.059832


