%chk=000004680.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004680

0 1
 O   -4.527600       2.082900     -0.2217000    
 O   -5.854500     -0.3546000     -0.1167000    
 O    4.841700      0.2406000      -1.869000    
 O    6.056700      0.2340000      0.6304000    
 N   0.4372000      -1.359300      0.3747000    
 C   -1.701100     -0.2237000      0.1452000    
 C   0.4870000       1.027100      0.1903000    
 C  -0.3079000     -0.2394000      0.2378000    
 C   -2.370900      -1.463600      0.1989000    
 C    1.981200      0.8142000      0.3051000    
 C   -2.438900      0.9631000      3.3000000E-03
 C   -3.772200      -1.487800      0.1088000    
 C   -3.830200      0.9206000     -8.4500000E-02
 C   -1.617500      -2.634800      0.3404000    
 C   -4.495300     -0.3021000     -3.2000002E-02
 C    2.726100      0.6242000     -0.8456000    
 C    2.568900      0.8137000       1.557900    
 C  -0.2377000      -2.527600      0.4224000    
 C    4.103000      0.4274000     -0.7399000    
 C    4.712700      0.4239000      0.5148000    
 C    3.945600      0.6170000       1.663600    
 C   -4.942300       2.735100      0.9769000    
 C   -6.417800     -0.4787000      -1.420800    
 C    4.142000      0.2582000      -3.111800    
 C    6.511700      -1.110400      0.7717000    
 H   0.1690000       1.692900       1.003600    
 H   0.2816000       1.558900     -0.7482000    
 H   -1.952500       1.934200     -4.2399999E-02
 H   -4.306100      -2.435600      0.1492000    
 H   -2.089400      -3.611500      0.3862000    
 H    2.194800      0.6349000      -1.790800    
 H    1.979500      0.9614000       2.458100    
 H   0.3807000      -3.412400      0.5325000    
 H    4.413900      0.6158000       2.644200    
 H   -5.605800       2.087400       1.558600    
 H   -5.490200       3.640500      0.7022000    
 H   -4.073400       3.020600       1.578300    
 H   -7.506600     -0.5005000      -1.323000    
 H   -6.090000      -1.410100      -1.893100    
 H   -6.139700      0.3771000      -2.044000    
 H    3.684500       1.234700      -3.304000    
 H    3.419600     -0.5623000      -3.180000    
 H    4.883400      9.4400004E-02  -3.900900    
 H    6.225600      -1.707800     -9.9699996E-02
 H    6.105800      -1.558300       1.684200    
 H    7.602600      -1.097200      0.8438000    


%chk=000004680-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004680

0 1
O -4.571691 2.141684 0.095641
O -6.022174 -0.381088 -0.085764
O 5.091048 -0.283423 -1.575567
O 6.220964 0.711722 0.836747
N 0.377085 -1.527682 -0.034916
C -1.752577 -0.314872 0.003065
C 0.494031 0.945087 0.095472
C -0.301396 -0.363986 0.021032
C -2.480134 -1.566255 -0.056719
C 1.997698 0.826611 0.284243
C -2.497087 0.906631 0.060592
C -3.909743 -1.547623 -0.095122
C -3.891981 0.903894 0.047458
C -1.724660 -2.782916 -0.101179
C -4.612322 -0.343918 -0.065342
C 2.817960 0.285163 -0.736020
C 2.609449 1.303135 1.465111
C -0.333260 -2.714117 -0.094188
C 4.219153 0.211974 -0.585432
C 4.829482 0.675500 0.622344
C 4.010453 1.219513 1.630933
C -5.400659 2.346012 1.309241
C -6.651995 0.294378 -1.247527
C 4.494280 -0.713102 -2.841499
C 6.967514 -0.551426 0.668429
H 0.080447 1.552383 0.923921
H 0.276251 1.521075 -0.829779
H -1.994386 1.874962 0.130737
H -4.475050 -2.482889 -0.165911
H -2.236032 -3.750202 -0.145259
H 2.342730 -0.095613 -1.644444
H 1.994994 1.731130 2.265636
H 0.279835 -3.621032 -0.133765
H 4.499932 1.580443 2.540928
H -6.151310 1.542625 1.415879
H -5.892979 3.319507 1.165548
H -4.753702 2.379119 2.205993
H -7.735468 0.235098 -1.065521
H -6.395927 -0.245398 -2.178516
H -6.324989 1.346703 -1.318816
H 3.964370 0.122919 -3.338077
H 3.794596 -1.558313 -2.692622
H 5.342169 -1.036307 -3.463778
H 6.910573 -0.909572 -0.372510
H 6.575527 -1.326001 1.356612
H 8.006180 -0.304435 0.937710


