%chk=000025342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025342

0 1
 O   -4.650900     -0.5876000     -0.6369000    
 N   0.7268000       2.598900      0.1872000    
 C   0.6587000       1.130400      0.1918000    
 C    1.305300      0.5842000       1.488000    
 C    1.332400     -0.9602000       1.602700    
 C  -0.7692000      0.6683000     -3.0900000E-02
 C    2.091100       3.040700      0.4603000    
 C   0.2610000       3.120600      -1.094300    
 C    2.152900      -1.633900      0.5170000    
 C    1.841400      -1.376800       2.989000    
 C   -1.728800      0.9733000      0.9157000    
 C   -1.073000     -4.5499999E-02  -1.174400    
 C    2.176900       4.556600      0.5133000    
 C    1.144400       2.644000      -2.234800    
 C    3.281600     -0.9976000      3.7500001E-02
 C    1.749100      -2.865400      3.8199998E-02
 C   -3.041600      0.5487000      0.7110000    
 C   -2.385800     -0.4701000      -1.379300    
 C   -3.370100     -0.1732000     -0.4366000    
 C    4.035500      -1.616400     -0.9596000    
 C    2.503200      -3.484300     -0.9589000    
 C    3.646400      -2.859700      -1.457800    
 C   -5.433100     -0.8643000      0.5238000    
 C   -6.454000      -1.930500      0.1878000    
 H    1.277900      0.7276000     -0.6142000    
 H   0.7500000      0.9741000       2.353300    
 H    2.333300      0.9152000       1.640100    
 H   0.2978000      -1.319200       1.525500    
 H    2.375600       2.779900       1.483400    
 H    2.857100       2.620100     -0.1998000    
 H  -0.7812000       2.849200      -1.296900    
 H   0.2276000       4.215800      -1.085800    
 H    1.220400     -0.9405000       3.778600    
 H    1.814900      -2.465800       3.108100    
 H    2.874900      -1.050700       3.151700    
 H   -1.492000       1.543700       1.808700    
 H  -0.3170000     -0.2928000      -1.913000    
 H    2.143000       5.012400     -0.4809000    
 H    1.380100       4.989000       1.128600    
 H    3.131300       4.857300      0.9610000    
 H   0.7755000       3.106100      -3.159800    
 H    1.113500       1.570000      -2.424700    
 H    2.186800       2.962200      -2.152800    
 H    3.638600     -4.5600001E-02  0.4108000    
 H   0.8614000      -3.359700      0.4214000    
 H   -3.782700      0.8255000       1.454800    
 H   -2.635300      -1.034000      -2.274000    
 H    4.928900      -1.133300      -1.344400    
 H    2.200600      -4.452600      -1.346500    
 H    4.234300      -3.342300      -2.233100    
 H   -4.818500      -1.246000       1.348800    
 H   -5.944200      5.1700000E-02  0.8401000    
 H   -5.957900      -2.848800     -0.1435000    
 H   -7.097600      -1.602200     -0.6350000    
 H   -7.080000      -2.160500       1.054600    


%chk=000025342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025342

0 1
O -4.502649 -1.173685 -0.384882
N 0.743819 2.593557 0.166550
C 0.791379 1.088536 0.169813
C 1.450714 0.542911 1.471748
C 1.476746 -1.007198 1.587245
C -0.626180 0.526224 0.021569
C 2.038115 3.247610 0.504880
C 0.112418 3.139471 -1.070837
C 2.296991 -1.688059 0.485368
C 2.012651 -1.418845 2.986526
C -1.662947 0.947112 0.888080
C -0.930335 -0.450515 -0.960614
C 1.956974 4.786274 0.545523
C 0.903483 2.959772 -2.395784
C 3.632082 -1.295629 0.200853
C 1.752082 -2.775646 -0.244523
C -2.967041 0.412539 0.793173
C -2.223826 -0.996535 -1.072834
C -3.248046 -0.569060 -0.192622
C 4.394598 -1.964746 -0.782097
C 2.510714 -3.451692 -1.227513
C 3.837179 -3.047629 -1.502060
C -5.608698 -0.759677 0.498507
C -6.835884 -1.562580 0.074436
H 1.402990 0.708391 -0.686235
H 0.901569 0.956219 2.341200
H 2.492358 0.905646 1.548193
H 0.435362 -1.373393 1.505822
H 2.336493 2.908662 1.511410
H 2.860507 2.941277 -0.192453
H -0.877486 2.662233 -1.174324
H -0.079302 4.214745 -0.905667
H 1.382354 -0.988910 3.787433
H 2.017836 -2.517653 3.100974
H 3.048679 -1.060535 3.137132
H -1.443871 1.727729 1.625667
H -0.143523 -0.787455 -1.646428
H 1.821786 5.233666 -0.455054
H 1.117929 5.110390 1.187731
H 2.893773 5.194429 0.967809
H 0.340628 3.417727 -3.230490
H 1.055255 1.893242 -2.641961
H 1.896091 3.445316 -2.353181
H 4.084284 -0.461686 0.751801
H 0.721700 -3.092289 -0.038911
H -3.745088 0.765557 1.476962
H -2.464124 -1.746827 -1.832508
H 5.423212 -1.644612 -0.985755
H 2.066852 -4.289577 -1.777593
H 4.428551 -3.567667 -2.264183
H -5.337561 -0.967308 1.554596
H -5.783089 0.330820 0.387666
H -6.648082 -2.644654 0.180521
H -7.089463 -1.356876 -0.979510
H -7.703657 -1.293118 0.703731


