%chk=000045548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045548

0 1
 O    2.579200      0.9242000      0.6140000    
 O    2.435400      -1.835500      0.3378000    
 N   -3.437300      0.6190000     -0.4602000    
 C   -2.430600      -1.603900     -0.1840000    
 C   -3.623000     -0.7023000      0.1521000    
 C   -2.286100       1.306400      0.1515000    
 C   -1.103600     -0.9319000      5.5000000E-02
 C   -1.029200      0.4668000      0.1708000    
 C   0.2160000       1.077900      0.3699000    
 C   7.0400000E-02  -1.694800      0.1028000    
 C   -4.646600       1.429700     -0.3222000    
 C    1.378300      0.3090000      0.4255000    
 C    1.305800      -1.075500      0.2898000    
 C    2.977500       1.881800     -0.3650000    
 C    3.104600      -2.080700     -0.8975000    
 C    4.489200       1.910100     -0.4405000    
 H   -2.479100      -1.895200      -1.241100    
 H   -2.498600      -2.517600      0.4184000    
 H   -4.531400      -1.182100     -0.2327000    
 H   -3.738400     -0.6152000       1.241100    
 H   -2.511400       1.597100       1.186500    
 H   -2.084300       2.220200     -0.4212000    
 H   0.2692000       2.157500      0.4898000    
 H   1.9600000E-02  -2.775700     -6.3000000E-03
 H   -5.491700      0.9468000     -0.8252000    
 H   -4.512000       2.405600     -0.8018000    
 H   -4.918400       1.594600      0.7267000    
 H    2.572100       1.627000      -1.352200    
 H    2.601200       2.867800     -7.2099999E-02
 H    4.017100      -2.645100     -0.6867000    
 H    3.379500      -1.141000      -1.385800    
 H    2.470200      -2.676000      -1.561700    
 H    4.830200       2.643700      -1.176300    
 H    4.919100       2.161900      0.5346000    
 H    4.881100      0.9254000     -0.7156000    


%chk=000045548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045548

0 1
O 2.736400 0.540461 -0.181164
O 2.311524 -2.255281 0.148584
N -3.517654 0.587618 -0.401217
C -2.606551 -1.653810 0.092061
C -3.655706 -0.595838 0.479556
C -2.235706 1.288664 -0.174567
C -1.210519 -1.052545 0.014353
C -1.039553 0.344117 -0.139265
C 0.267080 0.886646 -0.216988
C -0.060051 -1.876704 0.071196
C -4.662260 1.510802 -0.318161
C 1.411757 0.062476 -0.146590
C 1.242693 -1.350963 -0.010931
C 2.936748 2.000754 -0.214454
C 3.359558 -2.254382 -0.891475
C 4.443786 2.243241 -0.182267
H -2.884482 -2.073864 -0.894679
H -2.624845 -2.488171 0.819833
H -4.673761 -1.007511 0.351004
H -3.539460 -0.321030 1.561187
H -2.258998 1.867259 0.791499
H -2.101274 2.035058 -0.982197
H 0.379434 1.971248 -0.324260
H -0.155889 -2.961920 0.190204
H -5.594640 0.972996 -0.565646
H -4.534890 2.328689 -1.051031
H -4.786904 1.975311 0.694560
H 2.482469 2.417672 -1.137472
H 2.436513 2.460068 0.663162
H 4.051569 -3.058772 -0.597557
H 3.883435 -1.284887 -0.925129
H 2.920330 -2.481628 -1.883048
H 4.652617 3.328652 -0.187054
H 4.887705 1.805027 0.727824
H 4.933526 1.790550 -1.061673


