%chk=000041058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041058

0 1
 O  -0.8557000      -1.860300       1.350100    
 O   -4.072800     -0.9960000      -1.508100    
 O   0.3219000      0.4839000      -1.767300    
 O   0.6285000       3.155200     -0.8118000    
 O  -0.8684000       4.168900      0.7803000    
 O   0.5148000      -1.174100       3.079100    
 O    3.175100     -0.5315000       2.029400    
 O    4.597700     -0.4605000     -0.3605000    
 N   -3.258200      -1.649600     -0.6020000    
 C   -1.808900      -1.170000     -0.7806000    
 C  -0.7595000      -2.052100     -8.7099999E-02
 C   -3.725200      -1.349400      0.8043000    
 C   -1.622500      0.2755000     -0.3447000    
 C   -3.720200      0.1452000       1.100200    
 C   -2.502400      0.8731000      0.5925000    
 C   -3.398600      -3.120500     -0.8778000    
 C   0.6397000      -1.660300     -0.3662000    
 C  -0.5386000       1.012300     -0.8566000    
 C   -2.292500       2.200000       1.007000    
 C    1.264100      -1.296200      0.8103000    
 C  -0.3632000       2.308900     -0.4214000    
 C   -1.215300       2.886100      0.4871000    
 C   0.3153000      -1.416600       1.905600    
 C    1.334500      -1.632800      -1.562700    
 C    2.584100     -0.8873000      0.8613000    
 C    2.671500      -1.224000      -1.545200    
 C    3.292200     -0.8533000     -0.3404000    
 C   0.3030000       4.332200     -4.4900000E-02
 C   0.4228000       1.146300      -3.027700    
 C    3.685200      0.7997000       2.125200    
 C    5.251500     -0.4529000      -1.627400    
 H   -1.674300      -1.228400      -1.870400    
 H  -0.8799000      -3.119000     -0.2926000    
 H   -3.114600      -1.923400       1.502300    
 H   -4.749900      -1.735300      0.8744000    
 H   -3.815500      0.2882000       2.183200    
 H   -4.600300      0.6055000      0.6332000    
 H   -2.926600      -3.324900      -1.842400    
 H   -2.935200      -3.683100     -6.5300003E-02
 H   -4.469100      -3.343400     -0.9225000    
 H   -2.965200       2.678000       1.712000    
 H   0.8683000      -1.949700      -2.490900    
 H    3.173500      -1.224400      -2.507000    
 H   0.1322000       5.165400     -0.7362000    
 H    1.155000       4.577700      0.5995000    
 H  -0.5165000       1.635000      -3.308900    
 H   0.6587000      0.3990000      -3.790900    
 H    1.237700       1.875200      -3.001500    
 H    3.591200       1.121600       3.166500    
 H    3.123000       1.500100       1.497600    
 H    4.745600      0.8147000       1.858900    
 H    4.790700      0.2640000      -2.315700    
 H    5.317800      -1.459500      -2.054100    
 H    6.278400     -0.1128000      -1.457300    


%chk=000041058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041058

0 1
O -0.809272 -1.547328 1.549789
O -4.021203 -0.969972 -1.595181
O -0.017181 0.755944 -1.937834
O -0.000663 3.687262 -0.948721
O -1.564058 4.467507 0.682506
O 0.586625 -0.645273 3.190575
O 3.399360 -0.463175 2.035210
O 4.873009 -0.875128 -0.365070
N -3.209278 -1.662566 -0.644280
C -1.772274 -1.072515 -0.728644
C -0.727954 -1.892758 0.106591
C -3.749675 -1.459856 0.785808
C -1.818588 0.401215 -0.348081
C -3.940947 0.037167 1.026364
C -2.767026 0.896604 0.584194
C -3.243850 -3.141528 -0.996895
C 0.729189 -1.660423 -0.248608
C -0.870970 1.283772 -0.954661
C -2.742280 2.256426 0.998060
C 1.411111 -1.162241 0.884504
C -0.842387 2.615315 -0.511754
C -1.760532 3.076655 0.448783
C 0.466571 -1.044449 2.025517
C 1.406679 -1.902431 -1.448405
C 2.795973 -0.868387 0.853227
C 2.791590 -1.626071 -1.503177
C 3.489036 -1.120228 -0.377624
C -0.266906 4.769196 0.039395
C 0.285971 1.628645 -3.092674
C 4.377460 0.647018 2.027141
C 5.631053 -1.177569 -1.582014
H -1.509381 -1.168361 -1.796665
H -0.964387 -2.970261 0.031414
H -3.037476 -1.903121 1.501456
H -4.715786 -1.989286 0.819484
H -4.169152 0.200644 2.095874
H -4.816152 0.359478 0.430915
H -2.693746 -3.277111 -1.940691
H -2.836988 -3.790001 -0.200085
H -4.305882 -3.367333 -1.167968
H -3.476636 2.644589 1.708367
H 0.886873 -2.278335 -2.334727
H 3.334503 -1.820565 -2.432849
H -0.341409 5.728407 -0.493085
H 0.532295 4.753726 0.806885
H -0.647240 1.909418 -3.615524
H 0.918891 1.013993 -3.750874
H 0.825173 2.536681 -2.775773
H 4.558461 0.852176 3.092451
H 3.938711 1.538159 1.540945
H 5.305850 0.354089 1.513361
H 5.291064 -0.557411 -2.433913
H 5.554727 -2.250203 -1.844708
H 6.674001 -0.929802 -1.336429


