%chk=000046753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046753

2 1
 O    1.147300       1.370200       1.192000    
 O   -1.121700       1.386800       1.205200    
 O  -2.0999999E-03  0.7430000     -0.7385000    
 N    4.729700      -1.646100     -6.0100000E-02
 N   -4.726700      -1.595700     -6.2300000E-02
 C    4.076600     -0.2623000     -0.1033000    
 C   -4.097900     -0.2941000     -9.9699996E-02
 C    6.116600      -1.515000      0.5627000    
 C    4.822400      -2.189700      -1.483100    
 C    3.924400      -2.638600      0.7760000    
 C   -5.536000      -1.881100      -1.359500    
 C   -5.699800      -1.730400       1.143700    
 C   -3.744800      -2.801700      7.5000003E-02
 C    2.912800     -0.1124000      0.5734000    
 C   -2.898500     -7.9000004E-02  0.5793000    
 C    4.717900      0.6960000     -0.8142000    
 C   -4.690500      0.7464000     -0.8152000    
 C    2.317900       1.148800      0.5342000    
 C   -2.323000       1.170900      0.5254000    
 C    4.123200       1.956900     -0.8534000    
 C   -4.084000       2.001800     -0.8516000    
 C    2.923300       2.183500     -0.1792000    
 C   -2.884700       2.216900     -0.1727000    
 C  -2.4000001E-03   1.124700      0.4258000    
 H    6.016000      -1.049700       1.548500    
 H    6.539800      -2.519600      0.6632000    
 H    6.764200     -0.9208000     -8.7800004E-02
 H    5.503500      -1.572200      -2.074900    
 H    5.219000      -3.208900      -1.432100    
 H    3.819200      -2.198400      -1.921300    
 H    2.938000      -2.786400      0.3240000    
 H    4.456500      -3.596900      0.7587000    
 H    3.875800      -2.292000       1.813600    
 H   -6.432600      -1.255500      -1.374300    
 H   -4.885800      -1.705500      -2.222200    
 H   -5.856400      -2.928100      -1.341300    
 H   -6.161600      -2.721400       1.104800    
 H   -5.122500      -1.604000       2.064500    
 H   -6.460600     -0.9493000       1.052600    
 H   -4.315600      -3.729900     -2.9700000E-02
 H   -2.998700      -2.720900     -0.7212000    
 H   -3.284500      -2.778700       1.066500    
 H    2.396100     -0.8721000       1.143100    
 H   -2.410500     -0.8516000       1.162500    
 H    5.648800      0.5453000      -1.346800    
 H   -5.633400      0.6463000      -1.340800    
 H    4.594100       2.762800      -1.409000    
 H   -4.547700       2.814300      -1.403600    
 H    2.465600       3.168400     -0.2135000    
 H   -2.413500       3.194400     -0.1995000    


%chk=000046753-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046753

2 1
O 1.091655 -0.155134 -0.177525
O -1.105086 -0.177865 -0.258418
O -0.006115 1.845808 -0.802477
N 5.816855 -1.477090 0.006686
N -5.826590 -1.396554 0.309129
C 4.748359 -0.388123 -0.108230
C -4.761043 -0.408693 -0.171072
C 6.665490 -1.232148 1.267485
C 6.720320 -1.442708 -1.239152
C 5.224929 -2.883660 0.112046
C -6.676069 -1.856061 -0.889330
C -6.729730 -0.711166 1.350154
C -5.229604 -2.643586 0.962696
C 3.381570 -0.717012 -0.110003
C -3.393250 -0.689062 -0.006826
C 5.175721 0.955745 -0.214105
C -5.191832 0.790574 -0.784468
C 2.435003 0.328045 -0.223409
C -2.449168 0.258111 -0.467730
C 4.205854 1.971773 -0.324457
C -4.224147 1.711122 -1.233346
C 2.823670 1.679214 -0.331570
C -2.840983 1.464103 -1.084800
C -0.006543 0.655216 -0.456568
H 6.003340 -1.251663 2.145552
H 7.425636 -2.025152 1.340235
H 7.156447 -0.252458 1.196286
H 7.209863 -0.462511 -1.311555
H 7.480561 -2.233253 -1.144387
H 6.097310 -1.612293 -2.129587
H 4.635038 -3.104804 -0.789130
H 6.058737 -3.597500 0.187307
H 4.600929 -2.955370 1.014581
H -7.169878 -0.987063 -1.344097
H -6.014215 -2.333586 -1.626583
H -7.433425 -2.570691 -0.531845
H -7.484529 -1.435257 1.693571
H -6.105357 -0.377594 2.191984
H -7.226718 0.154652 0.893035
H -6.060419 -3.292431 1.277513
H -4.604063 -3.179547 0.234385
H -4.639578 -2.351864 1.843439
H 2.999398 -1.735875 -0.028434
H -3.008406 -1.597930 0.458704
H 6.233265 1.236011 -0.213761
H -6.250191 1.030575 -0.923596
H 4.529332 3.013229 -0.407461
H -4.550188 2.640529 -1.708796
H 2.087997 2.477781 -0.428570
H -2.106950 2.192615 -1.429601


