%chk=000045462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045462

0 1
 O   -2.635200     -0.8633000      5.8400001E-02
 N   -2.063500      -4.503000      0.1669000    
 C   -2.056000      0.2704000      0.6900000    
 C  -0.5518000      0.2990000      0.4997000    
 C   -2.735600       1.538500      0.2171000    
 C   -2.016200      -2.070300      0.4837000    
 C   -2.681600      -3.237600     -0.2279000    
 C   0.2684000      0.1602000       1.604000    
 C  -3.8100000E-02  0.4634000     -0.7731000    
 C    2.190600      0.3516000      0.1531000    
 C    1.652100      0.1867000       1.429100    
 C    1.345600      0.4899000     -0.9481000    
 C   -2.810800       2.622900       1.073100    
 C   -3.266100       1.583700      -1.059800    
 C    3.625800      0.3783000     -2.8500000E-02
 C   -3.437100       3.790900      0.6378000    
 C   -3.892300       2.751500      -1.495200    
 C  -0.6329000      -4.489500     -0.1362000    
 C   -2.718200      -5.623700     -0.5069000    
 C   -3.977800       3.855100     -0.6463000    
 C    4.314800       1.589300      3.7799999E-02
 C    4.320400     -0.8070000     -0.2695000    
 C    5.698600       1.614900     -0.1371000    
 C    5.704100     -0.7814000     -0.4443000    
 C    6.393000      0.4296000     -0.3781000    
 H   -2.289000      0.1722000       1.760400    
 H  -0.9607000      -2.045600      0.2141000    
 H   -2.116100      -2.178000       1.570800    
 H   -3.748100      -3.240200      3.1900000E-02
 H   -2.634200      -3.082900      -1.314600    
 H  -0.1393000      3.0500000E-02   2.602100    
 H  -0.6754000      0.5562000      -1.646100    
 H    2.296500      7.7000000E-02   2.298200    
 H    1.749000      0.6153000      -1.950200    
 H   -2.391500       2.583100       2.074200    
 H   -3.208100      0.7407000      -1.741700    
 H   -3.503200       4.650400       1.298500    
 H   -4.312100       2.802500      -2.495600    
 H  -7.1099997E-02  -3.867500      0.5677000    
 H  -0.4214000      -4.165600      -1.161900    
 H  -0.2086000      -5.494100     -1.5300000E-02
 H   -2.297800      -6.577000     -0.1676000    
 H   -2.615000      -5.569000      -1.596700    
 H   -3.786000      -5.649600     -0.2623000    
 H   -4.464900       4.764500     -0.9854000    
 H    3.788800       2.522500      0.2249000    
 H    3.798700      -1.759700     -0.3242000    
 H    6.235200       2.557700     -8.5600004E-02
 H    6.245000      -1.704200     -0.6319000    
 H    7.470300      0.4496000     -0.5142000    


%chk=000045462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045462

0 1
O -2.446000 -0.938295 -0.156752
N -2.354977 -4.680293 -0.139277
C -1.936749 0.184070 0.657466
C -0.418737 0.325479 0.525212
C -2.702864 1.440790 0.234853
C -1.975142 -2.253259 0.303080
C -2.737446 -3.300099 -0.521920
C 0.435013 0.023802 1.612213
C 0.166005 0.722240 -0.704114
C 2.430144 0.521366 0.254615
C 1.836889 0.123647 1.482800
C 1.563589 0.816117 -0.837146
C -2.369416 2.687742 0.822687
C -3.755548 1.382764 -0.708861
C 3.911067 0.629601 0.112210
C -3.079935 3.857266 0.476496
C -4.462625 2.556276 -1.060761
C -1.039174 -5.089291 -0.674344
C -3.404277 -5.668145 -0.463860
C -4.130893 3.796038 -0.469278
C 4.494176 1.617378 -0.729503
C 4.781263 -0.251362 0.812820
C 5.894847 1.721041 -0.865999
C 6.182172 -0.148575 0.678121
C 6.747322 0.838527 -0.162591
H -2.166455 -0.033023 1.727610
H -0.878737 -2.334728 0.160019
H -2.199251 -2.389297 1.382526
H -3.816821 -3.167270 -0.325744
H -2.573803 -3.095657 -1.609544
H -0.000050 -0.281707 2.572629
H -0.485176 0.948721 -1.555802
H 2.474666 -0.080681 2.350146
H 1.994651 1.096016 -1.805064
H -1.544993 2.744627 1.544151
H -4.007351 0.418044 -1.156495
H -2.812795 4.814089 0.939421
H -5.274487 2.500440 -1.795225
H -0.252906 -4.388503 -0.346281
H -1.017211 -5.133238 -1.793662
H -0.779248 -6.090753 -0.287145
H -3.109665 -6.660675 -0.077277
H -3.596451 -5.772135 -1.562488
H -4.352421 -5.380767 0.023926
H -4.681748 4.703731 -0.741004
H 3.847114 2.328078 -1.256067
H 4.356856 -1.041301 1.442953
H 6.321413 2.495555 -1.513347
H 6.832446 -0.844016 1.220771
H 7.834920 0.918527 -0.267976


