%chk=000048582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048582

0 1
 O  -0.8252000      0.4465000       2.371900    
 O   -1.087000      0.2558000      -2.422400    
 O  -0.7470000      -3.542400      0.1182000    
 N  -0.7928000      -1.526600       1.215100    
 N  -0.9178000      -1.619700      -1.123700    
 C   -1.006400      0.5856000     -3.1500001E-02
 C   0.1153000       1.627600     -0.1382000    
 C   -2.353000       1.251200      2.0700000E-02
 C  -0.8627000     -0.1468000       1.291800    
 C   -1.003100     -0.2500000      -1.301200    
 C    1.469300      0.9815000     -8.2300000E-02
 C   -3.534300      0.3420000      0.1874000    
 C  -0.8160000      -2.312800      7.3100001E-02
 C    2.095900      0.8023000       1.145600    
 C    2.083200      0.5690000      -1.259200    
 C   -2.490400       2.582000     -7.5700000E-02
 C    3.354000      0.2016000       1.197200    
 C    3.341300     -3.1399999E-02  -1.207500    
 C    3.976700     -0.2155000      2.0700000E-02
 H   7.5499997E-02   2.360100      0.6812000    
 H   5.6699999E-02   2.208500      -1.070000    
 H  -0.7092000      -2.021500       2.098700    
 H  -0.9272000      -2.183300      -1.969300    
 H   -3.597000     -0.3887000     -0.6245000    
 H   -3.499800     -0.1943000       1.140400    
 H   -4.475600      0.9035000      0.1771000    
 H    1.640900       1.141500       2.070900    
 H    1.609600      0.7158000      -2.225300    
 H   -3.482200       3.024800     -3.1900000E-02
 H   -1.686900       3.293800     -0.2050000    
 H    3.851200      6.3699998E-02   2.152900    
 H    3.827600     -0.3531000      -2.123900    
 H    4.956900     -0.6813000      6.0699999E-02


%chk=000048582-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048582

0 1
O -0.887253 0.440753 2.448081
O -0.997507 0.209553 -2.426926
O -0.764527 -3.614507 0.192922
N -0.852021 -1.548072 1.280397
N -0.920565 -1.660686 -1.079305
C -1.052368 0.620340 -0.000259
C 0.142062 1.642832 -0.078880
C -2.447394 1.309596 -0.001203
C -0.922205 -0.145784 1.337177
C -0.987009 -0.269458 -1.265258
C 1.520018 0.989704 -0.066589
C -3.636964 0.371765 0.124948
C -0.840088 -2.363168 0.135555
C 2.205092 0.764882 1.157048
C 2.149758 0.604545 -1.279900
C -2.600351 2.650862 -0.113377
C 3.481938 0.159836 1.168207
C 3.426447 -0.000749 -1.269764
C 4.096075 -0.227996 -0.045116
H 0.032676 2.322951 0.783458
H 0.001474 2.219265 -1.009516
H -0.765088 -2.042627 2.174716
H -0.882003 -2.238512 -1.925829
H -3.661150 -0.372282 -0.694865
H -3.614761 -0.189208 1.079402
H -4.583645 0.935071 0.091859
H 1.737205 1.071972 2.100102
H 1.639765 0.789096 -2.233011
H -3.601853 3.095712 -0.115396
H -1.762640 3.346696 -0.205238
H 3.999046 -0.001919 2.120700
H 3.900443 -0.287430 -2.215224
H 5.087892 -0.693634 -0.036917


