%chk=000080813.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080813

0 1
 O  -0.1076000       2.671400     -0.1176000    
 O    3.422700      -1.894500     -0.4931000    
 N  -4.0500000E-02  0.3032000     -1.8800000E-02
 N   0.9178000     -0.6826000      1.4800000E-02
 N    4.365500     -6.0300000E-02  0.5837000    
 C    1.971600       1.411000     -8.1200004E-02
 C   0.4793000       1.603100     -7.7600002E-02
 C    2.053100     -7.0000000E-02 -1.9900000E-02
 C   -1.388000     -5.7500001E-02  8.0000004E-03
 C   -2.374500      0.9281000     -2.4300000E-02
 C   -1.748700      -1.403600      6.8000004E-02
 C    3.349300     -0.7735000     -3.7000000E-03
 C   -3.721600      0.5675000      3.1000001E-03
 C   -3.095900      -1.764000      9.5500000E-02
 C   -4.082500     -0.7784000      6.3000001E-02
 H    2.398700       1.882600      0.8052000    
 H    2.408500       1.791900      -1.005900    
 H   -2.176400       1.989500     -7.0600003E-02
 H   -1.010800      -2.200800      9.4899997E-02
 H   -4.490900       1.334000     -2.2100000E-02
 H   -3.377300      -2.812000      0.1423000    
 H   -5.131400      -1.059100      8.4399998E-02
 H    5.299500     -0.4526000      0.6443000    
 H    4.245000      0.8605000      0.9905000    


%chk=000080813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080813

0 1
O -0.144888 2.789096 -0.030214
O 3.347868 -2.126026 0.255837
N -0.075344 0.388509 0.057772
N 0.914753 -0.619836 0.126563
N 4.525561 -0.120746 0.236658
C 1.998960 1.478404 0.088615
C 0.477822 1.701392 0.029533
C 2.102191 -0.030876 0.145716
C -1.453114 -0.013815 0.024593
C -2.484886 0.958478 -0.033496
C -1.765196 -1.397523 0.051381
C 3.347668 -0.863015 0.216959
C -3.829680 0.530447 -0.064352
C -3.114843 -1.801969 0.019752
C -4.154753 -0.844378 -0.038118
H 2.414129 1.985365 0.978984
H 2.474113 1.921303 -0.805915
H -2.236888 2.021342 -0.054662
H -0.955419 -2.129241 0.096673
H -4.625014 1.282509 -0.109149
H -3.352490 -2.871122 0.040540
H -5.201380 -1.166021 -0.062474
H 5.404541 -0.635202 0.284475
H 4.551187 0.896828 0.207230


