%chk=000046950.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046950

1 1
 O   -2.149100     -2.8200001E-02  0.9677000    
 O   -2.491700     -0.8115000      -1.194500    
 N    2.624000     -0.1925000      0.1849000    
 N   -3.979800      -1.330500      0.5080000    
 C    3.174000     -0.3095000      -1.233900    
 C    2.467100      -1.602200      0.7513000    
 C    1.293700      0.5630000      0.1365000    
 C    3.591800      0.5749000       1.081000    
 C    2.195500      -1.088900      -2.085000    
 C    3.812100      -2.295300      0.7423000    
 C   0.1968000     -9.8099999E-02  0.5781000    
 C    1.325000       1.829300     -0.3436000    
 C   -1.015400      0.5906000      0.5342000    
 C   0.1130000       2.518000     -0.3874000    
 C   -1.057300       1.898800      5.1600002E-02
 C   -2.345700       2.650900     -3.1000001E-03
 C   -2.851300     -0.7404000     -2.3100000E-02
 C   -4.902700      -2.128400     -0.2653000    
 H    3.313100      0.6993000      -1.638200    
 H    4.171700     -0.7560000      -1.219900    
 H    2.127300      -1.516000       1.791500    
 H    1.742100      -2.186200      0.1773000    
 H    3.252300      0.4984000       2.118700    
 H    4.602300      0.1769000      0.9645000    
 H    3.634600       1.625100      0.7800000    
 H    2.531900      -1.035200      -3.127900    
 H    2.172400      -2.155600      -1.846500    
 H    1.174300     -0.7005000      -2.081900    
 H    4.587700      -1.800900       1.329600    
 H    3.682100      -3.276300       1.218300    
 H    4.193700      -2.521300     -0.2558000    
 H   0.1617000      -1.104300      0.9709000    
 H    2.215700       2.335100     -0.6956000    
 H   9.6199997E-02   3.535700     -0.7687000    
 H   -2.878400       2.578100      0.9510000    
 H   -2.184800       3.716700     -0.1984000    
 H   -2.982200       2.255500     -0.8011000    
 H   -4.172700      -1.195200       1.495700    
 H   -5.884300      -1.650100     -0.2239000    
 H   -4.963800      -3.118700      0.1925000    
 H   -4.577900      -2.219200      -1.304400    


%chk=000046950-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046950

1 1
O -2.460384 0.238836 0.154267
O -1.918542 -2.078110 0.469065
N 2.562658 -0.238255 0.134467
N -4.124262 -1.263082 0.440743
C 3.436206 -0.036618 -1.141005
C 2.261885 -1.750228 0.344515
C 1.269630 0.580349 0.014872
C 3.345431 0.280132 1.346889
C 2.781657 -0.539618 -2.428871
C 3.492565 -2.659328 0.426845
C 0.015413 -0.045110 0.136194
C 1.373143 1.971547 -0.193736
C -1.152701 0.750702 0.044613
C 0.189476 2.735718 -0.283382
C -1.095229 2.157741 -0.167213
C -2.356564 2.984998 -0.257824
C -2.769077 -1.160052 0.370866
C -4.806894 -2.548118 0.654214
H 3.636270 1.044717 -1.200750
H 4.392772 -0.546574 -0.941257
H 1.676298 -1.812493 1.276545
H 1.614088 -2.056694 -0.490365
H 2.735453 0.128118 2.249660
H 4.298152 -0.262170 1.428005
H 3.542993 1.352691 1.216993
H 3.426241 -0.249803 -3.277186
H 2.679595 -1.637256 -2.459535
H 1.791870 -0.082008 -2.593771
H 4.162111 -2.421405 1.269706
H 3.123128 -3.686262 0.597591
H 4.081714 -2.686470 -0.504901
H -0.121855 -1.112659 0.298667
H 2.335211 2.484474 -0.289751
H 0.267678 3.815414 -0.445868
H -2.955526 2.896795 0.666435
H -2.123687 4.049351 -0.421420
H -3.001690 2.637438 -1.084770
H -4.670267 -0.405633 0.340597
H -5.480500 -2.776957 -0.189884
H -5.393039 -2.528637 1.589567
H -4.046419 -3.340183 0.727575


