%chk=000048861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048861

0 1
 O   -3.516800      0.4967000       1.106300    
 O   -3.512600      0.3639000      -1.286000    
 N   0.5465000      -2.882600      0.1018000    
 N    4.134800      0.1403000     -7.0799999E-02
 N  -0.2829000       1.725800     -0.1602000    
 N    2.358200      -1.395600      1.6100001E-02
 N    1.933800      0.9623000     -0.1183000    
 N   0.1008000     -0.5837000     -2.9700000E-02
 C   -1.707900       1.500500     -0.1461000    
 C    1.314000      -3.984500     -0.4621000    
 C    1.116100      -3.853700       1.024200    
 C    4.681300       1.382500      0.4902000    
 C    4.709100       1.144500     -0.9755000    
 C   -2.124900      0.8020000       1.141700    
 C   -2.120800      0.6643000      -1.350200    
 C   -3.908800     -0.2518000     -5.2700002E-02
 C    1.025100      -1.556000      2.5599999E-02
 C    2.739500     -0.1102000     -5.7200000E-02
 C   0.6196000      0.6593000     -0.1005000    
 C   0.2007000       3.102500     -0.2245000    
 C   -3.436200      -1.708200      2.8800000E-02
 C   -5.439900     -0.2376000     -5.6200001E-02
 C   0.5713000       3.619300       1.155300    
 H   -2.269400       2.443500     -0.1964000    
 H    2.278500      -3.746100     -0.8843000    
 H   0.7022000      -4.693200      -1.000800    
 H    1.933800      -3.500100       1.634300    
 H   0.3705000      -4.472600       1.500800    
 H    5.586500       1.220400       1.057100    
 H    3.966000       2.079700      0.9001000    
 H    4.004000       1.661100      -1.609600    
 H    5.632700      0.8165000      -1.429400    
 H   -1.592100     -0.1123000       1.402400    
 H   -1.967600       1.479800       1.989300    
 H   -1.960500       1.245600      -2.266300    
 H   -1.587600     -0.2732000      -1.507800    
 H    1.057900       3.187700     -0.9037000    
 H  -0.5700000       3.756800     -0.6503000    
 H   -3.788500      -2.283800     -0.8340000    
 H   -3.791500      -2.185000      0.9487000    
 H   -2.347400      -1.790700      3.5200000E-02
 H   -5.847300     -0.6756000      0.8615000    
 H   -5.811400      0.7926000     -0.1140000    
 H   -5.844200     -0.7744000     -0.9213000    
 H  -0.2895000       3.582800       1.831200    
 H    1.375300       3.030800       1.607900    
 H   0.9089000       4.658500       1.091800    


%chk=000048861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048861

0 1
O -3.557756 0.290305 1.291844
O -3.663328 0.531632 -1.115055
N 1.092695 -2.753803 -0.481284
N 4.323134 0.637839 -0.048957
N -0.252119 1.739788 0.060151
N 2.751099 -1.097753 -0.269241
N 2.048678 1.233698 -0.062073
N 0.376830 -0.540598 -0.129691
C -1.696435 1.400566 0.107049
C 1.692819 -3.920152 0.197276
C 0.194564 -3.592896 0.342462
C 4.997655 1.714034 -0.800775
C 5.435452 0.241901 -0.934912
C -2.096930 0.507261 1.310479
C -2.208683 0.767134 -1.213231
C -4.044796 -0.318875 0.033466
C 1.417544 -1.416875 -0.264815
C 2.992559 0.249112 -0.150757
C 0.743675 0.788566 -0.045165
C 0.105359 3.177828 0.168180
C -3.519362 -1.761327 -0.136057
C -5.567221 -0.236906 0.109165
C 0.072427 3.693467 1.622196
H -2.237110 2.357261 0.233943
H 2.350051 -3.720551 1.051557
H 2.007428 -4.741177 -0.454300
H -0.146605 -3.179705 1.299745
H -0.547433 -4.183639 -0.203932
H 5.601098 2.408621 -0.208046
H 4.449227 2.164509 -1.636637
H 5.177326 -0.290136 -1.858118
H 6.346658 -0.101542 -0.435535
H -1.545407 -0.447990 1.280388
H -1.896817 1.019593 2.265807
H -2.091090 1.467722 -2.056298
H -1.660042 -0.165878 -1.431621
H 1.118438 3.297773 -0.244937
H -0.602723 3.750099 -0.461045
H -3.937752 -2.195215 -1.060604
H -3.844844 -2.372510 0.723741
H -2.419189 -1.806973 -0.201533
H -5.935783 -0.818378 0.970441
H -5.868199 0.815636 0.231840
H -6.014588 -0.631996 -0.817874
H -0.926318 3.567383 2.079495
H 0.811967 3.151909 2.237039
H 0.323148 4.770041 1.648629


