%chk=000063382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063382

0 1
 O  -0.3657000      -2.039800      0.1798000    
 N   6.7299999E-02  0.2757000      0.1833000    
 N   -1.767000       1.787000      7.2999999E-02
 C    1.488600      6.4000003E-02  0.1631000    
 C    2.171900     -2.7300000E-02  -1.043900    
 C  -0.4933000       1.555000      0.1614000    
 C  -0.7519000     -0.8732000      0.1815000    
 C   -2.205900     -0.6170000      0.1112000    
 C   -2.649800      0.7031000      3.5000000E-02
 C    2.166500     -4.7499999E-02   1.371900    
 C    3.551600     -0.2329000      -1.042600    
 C    4.238700     -0.3458000      0.1661000    
 C    3.546200     -0.2530000       1.373300    
 C    1.461600      8.9900002E-02  -2.353400    
 C   0.3908000       2.777100      0.3041000    
 C   -3.117500      -1.679400      9.5399998E-02
 C   -4.024200      0.9516000     -5.7200000E-02
 C    5.713700     -0.5655000      0.1679000    
 C   -4.483800      -1.418200      3.8999999E-03
 C   -4.937600     -0.1036000     -7.3600002E-02
 H    1.635900      2.3100000E-02   2.317600    
 H    4.096300     -0.3078000      -1.980900    
 H    4.069500     -0.3409000       2.321700    
 H    2.150400     -7.4000000E-03  -3.199800    
 H   0.7107000     -0.7001000      -2.456500    
 H   0.9751000       1.066200      -2.444400    
 H    1.120500       2.809100     -0.5091000    
 H   0.9240000       2.735600       1.257900    
 H  -0.2061000       3.693300      0.2745000    
 H   -2.784300      -2.712000      0.1507000    
 H   -4.393000       1.973100     -0.1133000    
 H    5.934100      -1.635800      0.1062000    
 H    6.188000     -5.8699999E-02 -0.6794000    
 H    6.173700     -0.1657000       1.078100    
 H   -5.194200      -2.239600     -8.8000000E-03
 H   -6.001800      0.1008000     -0.1449000    


%chk=000063382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063382

0 1
O -0.273324 -2.016422 -0.229923
N 0.032068 0.294573 0.090640
N -1.819608 1.832831 0.254180
C 1.477772 0.092321 0.111486
C 2.190443 -0.091785 -1.102846
C -0.516113 1.593191 0.222705
C -0.793929 -0.875288 -0.065545
C -2.241339 -0.601595 -0.010142
C -2.704480 0.743017 0.152784
C 2.141569 0.073877 1.354951
C 3.592577 -0.271071 -1.018981
C 4.286107 -0.286137 0.217855
C 3.538471 -0.109148 1.409442
C 1.475136 -0.120369 -2.438318
C 0.439856 2.758452 0.319699
C -3.169854 -1.669979 -0.118251
C -4.104198 0.992712 0.206677
C 5.786103 -0.518710 0.264754
C -4.548669 -1.409090 -0.061716
C -5.013516 -0.072573 0.101544
H 1.559035 0.191666 2.275402
H 4.158873 -0.411662 -1.948459
H 4.048139 -0.122400 2.379782
H 2.193818 -0.125752 -3.274777
H 0.850598 -1.029845 -2.515229
H 0.802149 0.747607 -2.568269
H 1.167140 2.759537 -0.511690
H 1.025599 2.730066 1.255751
H -0.153523 3.683482 0.295962
H -2.778711 -2.685055 -0.242808
H -4.437798 2.027359 0.330302
H 6.016714 -1.601571 0.286395
H 6.291453 -0.094747 -0.620900
H 6.238489 -0.068791 1.165646
H -5.267769 -2.231039 -0.142776
H -6.090277 0.125737 0.144471


