%chk=000037971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037971

0 1
 O   -1.456600     -0.6874000     -0.7827000    
 O  -3.7300002E-02  -1.068300      0.9696000    
 O    6.075600      0.9445000     -9.3300000E-02
 N   -3.850300      0.7930000     -9.4700001E-02
 N   0.6782000     -4.7100000E-02  -1.011700    
 C   -3.849400     -0.6246000     -0.4553000    
 C   -2.521600      -1.274800     -3.7000000E-02
 C   -5.046100      -1.328800      0.1963000    
 C   -2.529600      -2.781600     -0.3066000    
 C   -5.037900      -2.829300     -8.6300001E-02
 C   -3.722800      -3.471600      0.3427000    
 C   -4.805900       1.535000     -0.9291000    
 C   -4.151400      0.9597000       1.334100    
 C   -4.783800       3.028000     -0.5982000    
 C   -4.107800       2.434000       1.738900    
 C   -5.050400       3.272100      0.8828000    
 C  -0.2346000     -0.6395000     -0.1608000    
 C    2.049700      0.2034000     -0.7790000    
 C    2.628900     -0.1618000      0.4362000    
 C    2.823600      0.8171000      -1.764000    
 C    3.982100      8.6499996E-02  0.6664000    
 C    4.176700       1.065500      -1.533900    
 C    4.755900      0.7002000     -0.3187000    
 C    6.763600      4.5100000E-02  0.7750000    
 C    8.228000     -8.2000000E-03  0.3675000    
 C    9.023200     -0.9611000       1.241700    
 H   -3.919900     -0.7207000      -1.548200    
 H   -2.366000      -1.130800       1.038800    
 H   -6.000600     -0.9174000     -0.1488000    
 H   -5.031000      -1.275600       1.290100    
 H   -1.599000      -3.234600      5.5700000E-02
 H   -2.541100      -2.961100      -1.389700    
 H   -5.196600      -2.999600      -1.158300    
 H   -5.870900      -3.310400      0.4392000    
 H   -3.726400      -4.533500      7.2600000E-02
 H   -3.626900      -3.419500       1.434200    
 H   -5.830600       1.163900     -0.8092000    
 H   -4.541400       1.423300      -1.987800    
 H   -3.439200      0.4257000       1.970700    
 H   -5.165600      0.6395000       1.598900    
 H   -3.806800       3.449400     -0.8676000    
 H   -5.534300       3.552500      -1.200400    
 H   -4.379000       2.538600       2.795800    
 H   -3.083200       2.813000       1.633500    
 H   -4.926400       4.335000       1.117200    
 H   -6.089600       3.009400       1.116100    
 H   0.3230000      0.2460000      -1.918500    
 H    2.091200     -0.6335000       1.246900    
 H    2.384500       1.107000      -2.715100    
 H    4.387900     -0.1873000       1.635800    
 H    4.774600       1.544000      -2.304800    
 H    6.671900      0.4042000       1.806600    
 H    6.357000     -0.9723000      0.7046000    
 H    8.307300     -0.3136000     -0.6828000    
 H    8.661600      0.9976000      0.4221000    
 H    10.07200     -0.9766000      0.9292000    
 H    8.632400      -1.980900       1.168000    
 H    8.986300     -0.6537000       2.291600    


%chk=000037971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037971

0 1
O -1.872830 -1.934563 -1.080511
O -0.619362 -1.594072 0.897300
O 5.504050 0.785137 -0.531454
N -3.175977 0.371978 0.089999
N 0.202577 -1.070681 -1.260521
C -3.953218 -0.800665 -0.386725
C -3.124705 -2.109215 -0.298040
C -5.336501 -1.015908 0.301552
C -3.871012 -3.303513 -0.913731
C -6.098680 -2.210617 -0.318422
C -5.250589 -3.502099 -0.241331
C -3.566234 1.654952 -0.542388
C -3.021908 0.500006 1.561185
C -2.507853 2.744441 -0.266876
C -1.951343 1.558302 1.902148
C -2.291533 2.919474 1.253623
C -0.742494 -1.513450 -0.352703
C 1.525973 -0.620902 -0.994637
C 2.084603 -0.575603 0.306735
C 2.312977 -0.196403 -2.101007
C 3.406433 -0.114472 0.494458
C 3.626393 0.263417 -1.913296
C 4.183682 0.307965 -0.611240
C 6.127440 0.847940 0.802027
C 7.542210 1.400786 0.613995
C 8.298063 1.500412 1.957249
H -4.139500 -0.629601 -1.468144
H -2.842420 -2.323213 0.750849
H -5.933447 -0.087262 0.217384
H -5.185803 -1.205615 1.383184
H -3.249153 -4.212239 -0.815249
H -4.007334 -3.117453 -1.997820
H -6.332997 -1.989326 -1.380375
H -7.066293 -2.356227 0.199575
H -5.781399 -4.343877 -0.725087
H -5.108279 -3.783213 0.822376
H -4.559345 2.022193 -0.168442
H -3.665462 1.491233 -1.632293
H -2.708714 -0.475166 1.972778
H -3.986548 0.792721 2.051565
H -1.554786 2.440398 -0.741786
H -2.829513 3.697887 -0.729937
H -1.876448 1.658693 3.002533
H -0.973563 1.196637 1.532139
H -1.487186 3.654003 1.448590
H -3.218561 3.325798 1.710917
H -0.113159 -1.057112 -2.232195
H 1.484085 -0.899905 1.159119
H 1.893778 -0.226835 -3.114746
H 3.812252 -0.091720 1.510109
H 4.236844 0.591768 -2.759758
H 5.528763 1.508842 1.464479
H 6.155129 -0.168217 1.250087
H 8.090744 0.744277 -0.086834
H 7.475713 2.396154 0.136578
H 9.315000 1.903002 1.804880
H 8.397834 0.509216 2.438297
H 7.774808 2.169509 2.666139


