%chk=000053228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053228

0 1
 O    1.431500       2.641600      0.1105000    
 O   -4.247600       2.037000      0.2999000    
 N    1.181900      -2.146100     -0.1940000    
 N   0.3232000     -0.1523000      5.5300001E-02
 N  -0.1397000      -2.373800     -0.2328000    
 C    2.786300     -0.2954000      5.3900000E-02
 C    3.080600      0.9998000     -0.3806000    
 C    1.448600     -0.8235000     -2.2700001E-02
 C  -0.6139000      -1.136100     -7.7799998E-02
 C   -2.019500     -0.8440000     -5.0400000E-02
 C    3.804900      -1.098200      0.5738000    
 C    4.384400       1.488400     -0.2955000    
 C    2.020400       1.891500     -0.9430000    
 C    5.108700     -0.6095000      0.6586000    
 C   -2.455800      0.4707000      0.1140000    
 C    5.398400      0.6837000      0.2239000    
 C   -2.948800      -1.875100     -0.1887000    
 C   -3.821300      0.7543000      0.1401000    
 C   -4.314200      -1.591600     -0.1627000    
 C   -4.750500     -0.2769000      1.6000000E-03
 C   -5.657500       2.255300      0.3165000    
 H    3.613200      -2.106300      0.9335000    
 H    4.625900       2.494900     -0.6273000    
 H    2.469500       2.610700      -1.638800    
 H    1.255100       1.376700      -1.530400    
 H    1.816300      -2.929300     -0.2990000    
 H    5.897900      -1.234600       1.066000    
 H   -1.751200       1.292200      0.2235000    
 H    6.413300       1.064500      0.2913000    
 H   -2.646400      -2.911100     -0.3187000    
 H   -5.037300      -2.394900     -0.2705000    
 H   -5.824800     -0.1277000      1.2600000E-02
 H   0.9742000       2.017400      0.6996000    
 H   -6.132600       1.752600       1.165800    
 H   -6.118400       1.981900     -0.6387000    
 H   -5.816400       3.330200      0.4518000    


%chk=000053228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053228

0 1
O 1.119313 2.393165 0.157833
O -4.299062 2.068666 0.204782
N 1.233601 -2.172307 -0.201256
N 0.331686 -0.167661 0.051705
N -0.136822 -2.411810 -0.218195
C 2.881214 -0.272946 0.037883
C 3.175377 1.076652 -0.344765
C 1.520706 -0.826420 -0.041458
C -0.652892 -1.151098 -0.058858
C -2.097210 -0.879128 -0.017154
C 3.926186 -1.115428 0.512633
C 4.516013 1.520242 -0.243547
C 2.104121 2.037938 -0.860510
C 5.253309 -0.651788 0.595961
C -2.561145 0.452241 0.076600
C 5.551112 0.675793 0.213988
C -3.027252 -1.955471 -0.076575
C -3.952022 0.712944 0.112266
C -4.405486 -1.680843 -0.039364
C -4.885342 -0.352104 0.055315
C -5.723946 2.402907 0.248790
H 3.695372 -2.130749 0.858104
H 4.747224 2.553166 -0.528591
H 2.582535 2.983924 -1.165100
H 1.605486 1.597883 -1.753461
H 1.873751 -2.949369 -0.349592
H 6.042547 -1.312098 0.970243
H -1.863481 1.293464 0.118002
H 6.577756 1.051825 0.280354
H -2.657139 -2.981958 -0.149713
H -5.124815 -2.506079 -0.083534
H -5.962651 -0.164639 0.082994
H 0.569342 1.549891 0.291162
H -6.216110 1.956647 1.135176
H -6.245058 2.071729 -0.670890
H -5.757820 3.499820 0.319374


