%chk=000046301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046301

0 1
 O   -2.705700       1.302300       1.433400    
 N   -1.614700     -0.3293000      0.2231000    
 N    1.148200     -0.3526000     -0.4780000    
 C  -0.6437000     -0.7194000       1.229000    
 C   -1.209400      -1.014400     -0.9953000    
 C  -0.5399000      -2.234300       1.003900    
 C  -0.9145000      -2.431200     -0.4797000    
 C   0.6759000      4.4000000E-03  0.8762000    
 C   7.4100003E-02 -0.3095000      -1.492500    
 C    2.292700      0.4593000     -0.8764000    
 C   -2.569900      0.6483000      0.3983000    
 C    3.464200      0.2291000      7.6800004E-02
 C   -3.483800      0.8835000     -0.7758000    
 C    4.682800       1.055500     -0.3357000    
 C   -4.498100       1.949100     -0.4360000    
 C    5.841800      0.8592000      0.6285000    
 H  -0.9737000     -0.4604000       2.239700    
 H   -1.981100      -1.004500      -1.768600    
 H   -1.272800      -2.758800       1.628800    
 H   0.4486000      -2.637900       1.245200    
 H  -0.1289000      -2.939600      -1.047700    
 H   -1.818700      -3.049000     -0.5394000    
 H   0.5232000       1.088900      0.9559000    
 H    1.406300     -0.2969000       1.633500    
 H   0.4210000     -0.8036000      -2.407700    
 H  -0.1658000      0.7322000      -1.744200    
 H    2.030300       1.524600     -0.9068000    
 H    2.609800      0.1752000      -1.887800    
 H    3.730100     -0.8352000      9.8099999E-02
 H    3.212700      0.5264000       1.100000    
 H   -2.889500       1.202700      -1.638200    
 H   -3.998100     -5.0700001E-02  -1.024500    
 H    4.419500       2.119300     -0.3673000    
 H    5.001700      0.7699000      -1.344900    
 H   -5.165700       2.119800      -1.286700    
 H   -4.014300       2.902000     -0.1949000    
 H   -5.116000       1.657200      0.4202000    
 H    6.703400       1.455100      0.3116000    
 H    5.567700       1.171100       1.641400    
 H    6.149400     -0.1908000      0.6634000    


%chk=000046301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046301

0 1
O -2.963119 1.158492 1.526669
N -1.704141 -0.287429 0.225888
N 1.114245 -0.169691 -0.372471
C -0.704236 -0.623625 1.269994
C -1.174011 -0.926761 -1.003745
C -0.484411 -2.146009 1.030738
C -0.786375 -2.348910 -0.494299
C 0.576988 0.195588 0.966954
C 0.079926 -0.118727 -1.437069
C 2.343749 0.567840 -0.747858
C -2.747344 0.602906 0.401326
C 3.559880 0.241238 0.143937
C -3.633973 0.860985 -0.831212
C 4.864433 0.871569 -0.396187
C -4.844376 1.751396 -0.498819
C 6.084431 0.579437 0.503792
H -1.101539 -0.364028 2.263154
H -1.917802 -0.939294 -1.816072
H -1.182369 -2.730947 1.654644
H 0.547384 -2.442129 1.282372
H 0.094390 -2.732126 -1.035602
H -1.626635 -3.049493 -0.644383
H 0.324787 1.283556 1.038234
H 1.343837 -0.025565 1.730305
H 0.510300 -0.551474 -2.360828
H -0.242713 0.929726 -1.670702
H 2.174202 1.677225 -0.745718
H 2.589271 0.286658 -1.791773
H 3.668413 -0.859943 0.201441
H 3.392054 0.603523 1.177596
H -3.016895 1.335923 -1.621535
H -3.974061 -0.109068 -1.246423
H 4.730918 1.968699 -0.493148
H 5.059020 0.489243 -1.419157
H -5.439903 1.950513 -1.408460
H -4.515392 2.712255 -0.069205
H -5.493517 1.268303 0.250934
H 7.006505 1.031402 0.094439
H 5.932623 0.985292 1.521772
H 6.254554 -0.509552 0.599377


