%chk=000049395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049395

0 1
 N    4.005700      0.6012000      -1.015200    
 C    1.871900      0.7119000      0.2351000    
 C    2.565200       1.432700       1.389700    
 C    2.587100      0.9781000      -1.094300    
 C    4.052600       1.097900       1.407400    
 C    4.696000       1.351100      4.3400001E-02
 C   0.4482000       1.166500      0.1316000    
 C  -0.6108000      0.3451000      0.2689000    
 C   -1.985800      0.8984000      0.1478000    
 C  -0.3136000      -1.093900      0.4300000    
 C    4.664200      0.8120000      -2.304300    
 C   -2.999400      0.2853000     -0.6216000    
 C  -0.7220000      -1.998800     -0.5637000    
 C   -2.862100     -0.9965000      -1.424400    
 C   -1.463800      -1.504300      -1.778900    
 C   -2.302400       2.063800      0.8806000    
 C   0.3640000      -1.566300       1.564500    
 C   -4.285300      0.8706000     -0.6347000    
 C  -0.4392000      -3.363500     -0.4103000    
 C   -3.577400       2.627500      0.8426000    
 C   0.6388000      -2.926300       1.705300    
 C   -4.570500       2.031000      8.1799999E-02
 C   0.2386000      -3.823500      0.7187000    
 H    2.005500     -0.3565000      0.3997000    
 H    2.115400       1.153000       2.349700    
 H    2.447300       2.520100       1.289900    
 H    2.099700      0.3875000      -1.881800    
 H    2.489000       2.035500      -1.379000    
 H    4.557400       1.699700       2.171600    
 H    4.188000      4.5699999E-02   1.689000    
 H    4.689800       2.427700     -0.1725000    
 H    5.745100       1.035900      9.7599998E-02
 H   0.2985000       2.228900     -5.3800002E-02
 H    5.708900      0.4844000      -2.260700    
 H    4.645000       1.863600      -2.612600    
 H    4.181400      0.2144000      -3.085500    
 H   -3.406600      -1.783800     -0.8853000    
 H   -3.386400     -0.8434000      -2.377800    
 H  -0.8760000     -0.7303000      -2.288400    
 H   -1.565200      -2.324500      -2.501100    
 H   -1.554600       2.546200       1.508200    
 H   0.6611000     -0.8900000       2.362600    
 H   -5.084900      0.4108000      -1.213100    
 H  -0.7483000      -4.079000      -1.168000    
 H   -3.792100       3.525500       1.414100    
 H    1.159300      -3.286000       2.588000    
 H   -5.567800       2.459100      5.0999999E-02
 H   0.4510000      -4.882800      0.8295000    


%chk=000049395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049395

0 1
N 4.165591 0.868841 -1.087765
C 1.986864 0.720762 0.148921
C 2.665189 1.397627 1.376574
C 2.717852 1.170474 -1.146063
C 4.184899 1.120163 1.385223
C 4.826039 1.547761 0.050711
C 0.520412 1.080390 0.067581
C -0.559691 0.242840 0.174827
C -1.953385 0.806919 0.091543
C -0.403390 -1.226883 0.437258
C 4.840986 1.137823 -2.370988
C -3.032553 0.208931 -0.633757
C -0.871578 -2.169907 -0.521345
C -2.955100 -1.073061 -1.471402
C -1.554587 -1.659987 -1.776123
C -2.209413 2.012678 0.812247
C 0.201753 -1.692501 1.631877
C -4.302546 0.847179 -0.610282
C -0.716532 -3.553407 -0.267668
C -3.473928 2.630768 0.820329
C 0.347488 -3.075700 1.879811
C -4.537292 2.039919 0.100452
C -0.111270 -4.011457 0.925186
H 2.114563 -0.373490 0.240556
H 2.197316 1.035421 2.311587
H 2.487474 2.492955 1.331004
H 2.285475 0.639543 -2.014850
H 2.533731 2.269703 -1.302209
H 4.671347 1.661058 2.219909
H 4.363888 0.038056 1.533483
H 4.759735 2.666054 -0.048391
H 5.899750 1.281031 0.040045
H 0.318485 2.144232 -0.137846
H 5.899764 0.827802 -2.307258
H 4.815350 2.217828 -2.669335
H 4.361103 0.551667 -3.175345
H -3.553708 -1.857460 -0.963223
H -3.467933 -0.875874 -2.434049
H -0.932377 -0.883203 -2.262278
H -1.673641 -2.485283 -2.502620
H -1.394750 2.446244 1.402599
H 0.542974 -0.962223 2.374484
H -5.124570 0.389119 -1.175944
H -1.069556 -4.276462 -1.013543
H -3.631860 3.551447 1.392963
H 0.813421 -3.419261 2.810136
H -5.532236 2.498811 0.096586
H 0.000947 -5.086183 1.107691


