%chk=000040091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040091

0 1
 O    3.465000     -0.7420000      0.2284000    
 O    2.789900       1.936500      0.5198000    
 N   -2.975200     -0.2149000     -0.2020000    
 C   -2.003600      0.8847000      4.4300001E-02
 C  -0.5392000      0.4411000      9.5500000E-02
 C   -2.574000      -1.469500      0.4455000    
 C   -1.258100      -1.958300     -0.1511000    
 C  -0.1880000     -0.9166000      9.9999997E-05
 C   -2.185000       1.940500      -1.063400    
 C   0.4842000       1.384500      0.2936000    
 C   -4.326900      0.1450000      0.2439000    
 C    1.160500      -1.300800      2.7799999E-02
 C    2.162200     -0.3476000      0.1947000    
 C    1.823500      0.9937000      0.3371000    
 C    4.164700     -0.7764000      -1.014300    
 H   -2.215800       1.340600       1.021500    
 H   -3.329500      -2.245800      0.2709000    
 H   -2.483100      -1.339700       1.532600    
 H   -1.380600      -2.192000      -1.216000    
 H  -0.9614000      -2.880800      0.3622000    
 H   -1.541700       2.812600     -0.9072000    
 H   -1.940800       1.525700      -2.048900    
 H   -3.208200       2.325300      -1.105500    
 H   0.2329000       2.435100      0.4202000    
 H   -4.707900       1.024900     -0.2819000    
 H   -4.364700      0.3433000       1.321200    
 H   -5.031300     -0.6650000      2.1400001E-02
 H    1.427400      -2.350800     -6.8800002E-02
 H    2.370700       2.810700      0.5968000    
 H    4.194800      0.2196000      -1.467500    
 H    3.692900      -1.487400      -1.699900    
 H    5.189900      -1.104000     -0.8213000    


%chk=000040091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040091

0 1
O 3.425072 -1.080282 0.036439
O 2.894039 1.749678 0.317061
N -3.059381 -0.193535 -0.057794
C -2.029714 0.887487 -0.000005
C -0.592447 0.348379 0.003294
C -2.654422 -1.478971 0.556283
C -1.426747 -2.040074 -0.177865
C -0.292266 -1.033121 -0.115121
C -2.237727 1.857187 -1.196366
C 0.478459 1.266102 0.135650
C -4.375145 0.259976 0.430967
C 1.059511 -1.448861 -0.133343
C 2.129576 -0.537792 -0.022128
C 1.823559 0.844693 0.136171
C 4.472210 -0.452082 -0.796503
H -2.159065 1.478849 0.946198
H -3.507031 -2.177270 0.460885
H -2.424954 -1.379967 1.648745
H -1.712782 -2.244969 -1.228110
H -1.114184 -2.999238 0.276186
H -1.534168 2.707825 -1.150852
H -2.074528 1.313856 -2.142480
H -3.261578 2.270749 -1.204711
H 0.260539 2.336467 0.262517
H -4.710434 1.152467 -0.124400
H -4.375359 0.515419 1.521741
H -5.123771 -0.535355 0.266411
H 1.312998 -2.510936 -0.221761
H 2.545509 2.659642 0.486784
H 4.642618 0.594628 -0.497653
H 4.192072 -0.499432 -1.866955
H 5.373139 -1.059319 -0.619584


