%chk=000042560.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042560

0 1
 O   -2.023700       1.955900      0.1445000    
 O    2.688200     -0.2490000      -1.832100    
 O    3.619400       1.185600     -0.3522000    
 O   -4.194100      0.6108000     -0.2721000    
 N    2.568800      1.7300000E-02   1.834900    
 C   0.6813000     -0.4937000      0.3227000    
 C    2.157800     -0.5266000      0.5285000    
 C   2.9000000E-03  0.7250000      0.3278000    
 C  -2.1700000E-02  -1.682400      0.1264000    
 C   -1.378500      0.7553000      0.1364000    
 C   -2.081500     -0.4333000     -5.9900001E-02
 C   -1.403300      -1.652100     -6.4700000E-02
 C    2.908000      0.2112000     -0.5766000    
 C   -3.523500     -0.4240000     -0.2634000    
 H    2.528700      -1.558900      0.4973000    
 H   0.5391000       1.659500      0.4754000    
 H   0.4922000      -2.639900      0.1197000    
 H   -1.935800      -2.587500     -0.2166000    
 H    2.090600     -0.4867000       2.580600    
 H    2.287000      0.9931000       1.915800    
 H   -4.010000      -1.402900     -0.4130000    
 H   -2.976200       1.846000      7.7999998E-03
 H    3.171200      0.2765000      -2.505000    


%chk=000042560-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042560

0 1
O -2.234508 1.855718 0.721601
O 2.927849 -0.973636 -1.567816
O 3.395247 1.158723 -0.767959
O -4.319111 0.607996 -0.141466
N 2.618391 0.385170 1.770223
C 0.642144 -0.429995 0.374997
C 2.167456 -0.445201 0.668351
C -0.117783 0.714010 0.678624
C 0.021160 -1.586728 -0.187174
C -1.510088 0.727484 0.422174
C -2.148135 -0.436046 -0.144357
C -1.354965 -1.583848 -0.440982
C 2.898242 0.026277 -0.598019
C -3.579118 -0.413061 -0.396949
H 2.456059 -1.503782 0.822042
H 0.349426 1.600976 1.116384
H 0.630585 -2.465284 -0.422810
H -1.842659 -2.468200 -0.869815
H 2.131092 0.288798 2.658896
H 2.954178 1.317869 1.525889
H -4.041996 -1.324760 -0.831927
H -3.217359 1.674523 0.467253
H 3.360794 -0.627802 -2.394959


