%chk=000077937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077937

0 1
 O    3.628700      -1.475800      0.8248000    
 O    3.990700     -0.4411000      -1.161700    
 O   -4.912500     -0.2567000      0.9666000    
 O   -3.871300       1.291600     -0.3278000    
 N    2.862900       1.834100     -0.3852000    
 C   0.5342000      5.2999999E-02 -0.2091000    
 C  -0.9101000     -0.2362000      0.2015000    
 C    1.386900      0.4512000       1.003200    
 C   -1.815200     -0.6629000     -0.9602000    
 C    2.838000      0.7677000      0.6127000    
 C   -3.240600      -1.031800     -0.5521000    
 C    3.535500     -0.4195000     -2.5500000E-02
 C   -4.027200      0.1261000      1.2800000E-02
 H   0.5271000      0.8521000     -0.9590000    
 H   0.9516000     -0.8395000     -0.6893000    
 H   -1.328900      0.6570000      0.6805000    
 H  -0.9134000      -1.029300      0.9597000    
 H    1.372400     -0.3626000       1.738600    
 H   0.9416000       1.327400       1.491800    
 H   -1.843000      0.1427000      -1.704400    
 H   -1.365400      -1.531800      -1.456400    
 H    3.414200       1.079400       1.490500    
 H   -3.791600      -1.410600      -1.419700    
 H   -3.201100      -1.831600      0.1966000    
 H    3.827100       2.108000     -0.5715000    
 H    2.401000       2.662800     -1.2100000E-02
 H    4.089200      -2.237300      0.4120000    
 H   -5.406800      0.5064000       1.334700    


%chk=000077937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077937

0 1
O 3.621393 -1.484340 0.651753
O 4.198305 -0.219079 -1.204255
O -5.259468 -0.196850 0.598885
O -3.748230 1.383310 -0.175483
N 2.865439 1.993961 -0.257912
C 0.543892 -0.032465 -0.129875
C -0.912492 -0.302952 0.306090
C 1.445044 0.379323 1.050693
C -1.816831 -0.717773 -0.877059
C 2.879272 0.824017 0.618758
C -3.266283 -1.039442 -0.460773
C 3.621717 -0.302239 -0.096185
C -4.054385 0.180767 -0.021099
H 0.570021 0.774383 -0.887270
H 0.956614 -0.943087 -0.613100
H -1.328078 0.609401 0.777398
H -0.927104 -1.101221 1.078386
H 1.536313 -0.448941 1.779194
H 0.986353 1.237869 1.580947
H -1.823947 0.093146 -1.630136
H -1.387880 -1.612921 -1.369395
H 3.455892 0.991403 1.561860
H -3.826836 -1.493603 -1.302841
H -3.298111 -1.783316 0.357538
H 3.511431 1.960700 -1.048898
H 2.763692 2.899144 0.197767
H 4.133790 -2.180147 0.157803
H -5.765521 0.623752 0.849208


