%chk=000022956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022956

0 1
 O    2.555200      0.2261000     -0.8927000    
 O    2.737300     -0.4858000       1.313100    
 N   -3.569800     -0.6946000      0.4542000    
 N    4.624300     -0.2278000     -1.1300000E-02
 C   -1.552400      0.4182000     -0.4049000    
 C   -3.046000      0.4881000     -0.2282000    
 C  -0.9673000     -0.7613000     -0.8501000    
 C  -0.7734000       1.534100     -0.1219000    
 C   0.4164000     -0.8260000      -1.014500    
 C   0.6103000       1.469600     -0.2864000    
 C    1.205200      0.2894000     -0.7328000    
 C   -1.789400      -1.969500      -1.159800    
 C   -1.385700       2.809500      0.3574000    
 C   -5.020500     -0.5944000      0.6093000    
 C   -2.926700     -0.8599000       1.757200    
 C    3.269300     -0.1949000      0.2459000    
 C    5.613300     -0.6207000      0.9653000    
 H   -3.364300       1.378900      0.3223000    
 H   -3.490300      0.5718000      -1.229200    
 H   0.8893000      -1.742300      -1.359900    
 H    1.234400       2.333100     -6.9399998E-02
 H   -1.236800      -2.627400      -1.843500    
 H   -1.992000      -2.568200     -0.2676000    
 H   -2.710200      -1.730300      -1.700800    
 H  -0.6354000       3.602600      0.4545000    
 H   -2.135700       3.175300     -0.3517000    
 H   -1.836800       2.675600       1.346100    
 H   -5.506000     -0.4989000     -0.3684000    
 H   -5.315900      0.2619000       1.226600    
 H   -5.421300      -1.504600       1.069200    
 H   -3.357900      -1.723200       2.278600    
 H   -3.070300      1.7800000E-02   2.399200    
 H   -1.854300      -1.067500       1.700200    
 H    4.943800      3.7999999E-02 -0.9377000    
 H    6.303900      0.2143000       1.106200    
 H    6.160900      -1.479500      0.5695000    
 H    5.149800     -0.8838000       1.918900    


%chk=000022956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022956

0 1
O 2.604590 -0.620119 -0.308272
O 3.560311 1.239174 0.856444
N -3.839116 -0.560129 0.510953
N 4.833239 -0.526289 -0.026038
C -1.567582 0.195634 -0.279118
C -3.075282 0.420037 -0.317821
C -1.017252 -0.953148 -0.930356
C -0.694781 1.114707 0.374523
C 0.376847 -1.170433 -0.901845
C 0.706115 0.887375 0.392466
C 1.226331 -0.255916 -0.246250
C -1.909530 -1.938556 -1.664910
C -1.213573 2.367134 1.070320
C -5.290497 -0.467496 0.257390
C -3.521401 -0.478033 1.949932
C 3.664747 0.149686 0.242116
C 6.138815 -0.019650 0.401076
H -3.320598 1.468055 -0.020475
H -3.435272 0.297275 -1.358646
H 0.816156 -2.045865 -1.390383
H 1.375015 1.588845 0.892413
H -1.345632 -2.834788 -1.974605
H -2.755607 -2.241556 -1.023104
H -2.340335 -1.482702 -2.579049
H -0.385998 2.907251 1.559578
H -1.691033 3.066058 0.357533
H -1.966446 2.129786 1.844227
H -5.493857 -0.627117 -0.817277
H -5.730869 0.521160 0.548591
H -5.818170 -1.253569 0.826907
H -4.036704 -1.293996 2.488073
H -3.834829 0.492922 2.414620
H -2.435454 -0.599413 2.098875
H 4.757319 -1.404708 -0.538891
H 6.804471 0.153107 -0.464702
H 6.633173 -0.720015 1.099630
H 5.977689 0.938993 0.918980


