%chk=000046063.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046063

0 1
 O    3.121700      0.1374000     -0.9081000    
 O    3.470100      3.8899999E-02   1.388600    
 N   -1.473000      -1.369000     -0.1912000    
 N   -4.932900     -0.2648000      0.4532000    
 N    5.235500     -0.2162000     -9.4800003E-02
 C  -0.4188000     -0.4968000     -0.3302000    
 C  -0.9278000      0.7940000     -0.1815000    
 C   -2.334200      0.6740000      5.3199999E-02
 C   -2.641800     -0.6860000      4.1499998E-02
 C   0.9354000     -0.7528000     -0.5745000    
 C  -3.9200000E-02   1.885100     -0.2817000    
 C   -1.365800      -2.811700     -0.2783000    
 C   -3.373000       1.592100      0.2738000    
 C    1.795500      0.3445000     -0.6697000    
 C   -3.934500      -1.152900      0.2405000    
 C    1.317600       1.644800     -0.5260000    
 C   -4.638900       1.055000      0.4649000    
 C    3.914200     -1.1900000E-02  0.2454000    
 C    6.289800     -0.4036000      0.8747000    
 H    1.312300      -1.763600     -0.6922000    
 H  -0.3969000       2.905000     -0.1721000    
 H   -2.168100      -3.281800      0.2941000    
 H   -1.432600      -3.092200      -1.332300    
 H  -0.4105000      -3.131200      0.1451000    
 H   -3.205100       2.662700      0.2956000    
 H   -4.209100      -2.199300      0.2335000    
 H    1.999100       2.488500     -0.6036000    
 H   -5.488200       1.708300      0.6409000    
 H    5.480300     -0.2355000      -1.079900    
 H    7.027300      0.3904000      0.7341000    
 H    6.760100      -1.371400      0.6842000    
 H    5.902700     -0.3738000       1.895900    


%chk=000046063-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046063

0 1
O 3.183073 0.739393 -0.060617
O 3.640629 -1.583544 0.290469
N -1.407484 -1.288732 0.175716
N -5.069501 -0.415020 -0.012297
N 5.319095 0.044671 0.067083
C -0.411907 -0.304692 0.043219
C -1.037591 0.976913 -0.140643
C -2.473271 0.747260 -0.128800
C -2.665178 -0.668033 0.062232
C 0.989501 -0.475743 0.079275
C -0.222455 2.124305 -0.286757
C -1.159025 -2.719012 0.357246
C -3.621364 1.561416 -0.255705
C 1.760088 0.696664 -0.068620
C -3.968745 -1.209986 0.110464
C 1.175204 1.983042 -0.249374
C -4.885469 0.935296 -0.189093
C 4.020075 -0.399199 0.118340
C 6.458444 -0.863910 0.216553
H 1.470478 -1.445260 0.207904
H -0.667581 3.114651 -0.428127
H -2.055480 -3.201289 0.778048
H -0.905029 -3.214958 -0.598774
H -0.325706 -2.871070 1.064864
H -3.548972 2.644054 -0.401550
H -4.158368 -2.281375 0.240868
H 1.839294 2.844630 -0.358768
H -5.804697 1.523764 -0.281224
H 5.466827 1.043446 -0.079445
H 7.073369 -0.593130 1.094435
H 7.097180 -0.855866 -0.685675
H 6.065768 -1.882489 0.361853


