%chk=000042623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042623

0 1
 O    5.679300      0.2677000      0.1740000    
 O   -5.288100       1.295400      0.2523000    
 O   -4.866200     -0.8971000     -0.2317000    
 N  -0.7637000      0.4372000      0.1226000    
 N   -1.934200      -1.401400     -0.3033000    
 N   -3.130900      0.6451000      0.1366000    
 C   0.1526000     -0.5527000     -8.4700003E-02
 C    1.577900     -0.3408000     -1.7600000E-02
 C    2.419000      -1.379100      0.3821000    
 C    2.114900      0.9022000     -0.3528000    
 C   -2.004200     -0.1199000     -1.8800000E-02
 C  -0.5906000      -1.677300     -0.3453000    
 C    4.334400      6.8499997E-02  0.1115000    
 C    3.797200      -1.174500      0.4468000    
 C    3.493200       1.106900     -0.2882000    
 C   -4.458500      0.2288000      2.5400000E-02
 C    6.161200       1.562500     -0.1824000    
 C   -6.693300       1.028600      0.1736000    
 H  -0.5746000       1.404200      0.3507000    
 H    2.025500      -2.355500      0.6542000    
 H    1.486100       1.727200     -0.6786000    
 H  -0.2381000      -2.675100     -0.5655000    
 H    4.447600      -1.986500      0.7602000    
 H    3.843700       2.095500     -0.5646000    
 H   -2.980500       1.626200      0.3576000    
 H    5.786700       2.333200      0.4997000    
 H    5.947800       1.796800      -1.230900    
 H    7.250700       1.542800     -7.4900001E-02
 H   -6.956800      0.6820000     -0.8301000    
 H   -7.227500       1.960900      0.3747000    
 H   -6.980700      0.2894000      0.9273000    


%chk=000042623-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042623

0 1
O 5.436605 0.613096 0.262403
O -5.283004 0.734882 0.087554
O -3.082127 1.501989 0.451663
N -1.122035 -0.299301 -0.255529
N -1.882688 -2.270028 -1.087693
N -3.544505 -0.624061 -0.440110
C 0.027941 -1.064112 -0.547207
C 1.395197 -0.589557 -0.323845
C 2.504332 -1.448452 -0.587632
C 1.676384 0.718440 0.153940
C -2.222211 -1.063137 -0.594939
C -0.480107 -2.272626 -1.058522
C 4.081511 0.289927 0.094056
C 3.823366 -1.020826 -0.385136
C 3.000014 1.162852 0.364647
C -3.894045 0.611546 0.065279
C 5.754927 1.952872 0.760708
C -5.788531 2.023149 0.611447
H -1.204656 0.642113 0.138477
H 2.326296 -2.465153 -0.953145
H 0.860746 1.419994 0.366228
H 0.072661 -3.139628 -1.410759
H 4.672232 -1.680895 -0.587285
H 3.170090 2.178815 0.732994
H -4.276061 -1.277624 -0.725938
H 5.323957 2.121448 1.767026
H 5.394469 2.737120 0.066583
H 6.852778 1.984911 0.817782
H -5.454646 2.171274 1.651956
H -6.882186 1.933918 0.556245
H -5.426807 2.858252 -0.011351


