%chk=000041817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041817

0 1
 O    3.424700      -1.258400     -0.5207000    
 O    3.428300       1.503900     -0.2374000    
 N   -2.626500     -0.6539000      0.4253000    
 C   -1.380600      -1.451200      0.4728000    
 C   -2.505900      0.5951000       1.187400    
 C  -0.1058000     -0.6482000      0.2716000    
 C   -1.371100       1.502200      0.7062000    
 C  -9.7499996E-02  0.7498000      0.4242000    
 C   -3.077500     -0.4204000     -0.9470000    
 C   -1.324100      -2.224300       1.800200    
 C    1.091600      -1.308700     -4.6799999E-02
 C    1.097900       1.461000      0.2462000    
 C    2.276600     -0.5927000     -0.2137000    
 C    2.279800      0.7915000     -6.6699997E-02
 C   -4.419300      0.2442000     -0.9811000    
 C   -4.647100       1.441500      -1.532700    
 C    3.715800      -1.442700      -1.904500    
 C    4.240500       1.711400      0.9168000    
 H   -1.428800      -2.210500     -0.3203000    
 H   -2.324800      0.3410000       2.240200    
 H   -3.446200       1.157600       1.215700    
 H   -1.184000       2.263600       1.473300    
 H   -1.672100       2.026000     -0.2090000    
 H   -3.197100      -1.384800      -1.457700    
 H   -2.342400      0.1458000      -1.532200    
 H   -2.250300      -2.786500       1.964900    
 H  -0.5024000      -2.949700       1.795700    
 H   -1.166200      -1.565100       2.660700    
 H    1.099200      -2.390300     -0.1638000    
 H    1.103300       2.544300      0.3462000    
 H   -5.255600     -0.2887000     -0.5347000    
 H   -5.644200       1.867800      -1.527700    
 H   -3.850300       2.014400      -1.993900    
 H    4.663200      -1.982400      -1.986300    
 H    3.818900     -0.4768000      -2.409000    
 H    2.932000      -2.036300      -2.385500    
 H    4.575400      0.7544000       1.329400    
 H    3.690400       2.276400       1.675900    
 H    5.118900       2.290000      0.6181000    


%chk=000041817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041817

0 1
O 3.406718 -1.368892 -0.516745
O 3.475084 1.549340 -0.207310
N -2.691790 -0.579523 0.460446
C -1.457170 -1.410786 0.554012
C -2.556195 0.686336 1.228961
C -0.163291 -0.610680 0.306031
C -1.416973 1.595139 0.697482
C -0.139163 0.808128 0.422115
C -3.172189 -0.381897 -0.934806
C -1.395945 -2.151876 1.915537
C 1.031874 -1.297848 -0.016189
C 1.091923 1.489529 0.254452
C 2.247297 -0.614521 -0.209166
C 2.283733 0.800300 -0.038801
C -4.582713 0.171258 -0.962143
C -4.995733 1.209496 -1.731134
C 4.012119 -1.055366 -1.831924
C 4.533881 1.243312 0.782272
H -1.539737 -2.187606 -0.233005
H -2.364817 0.423444 2.285368
H -3.520544 1.223188 1.194706
H -1.218106 2.410062 1.420318
H -1.747947 2.090174 -0.238678
H -3.177115 -1.382920 -1.413344
H -2.505025 0.263791 -1.556393
H -2.317693 -2.741952 2.057103
H -0.524196 -2.829590 1.951416
H -1.299137 -1.443420 2.757313
H 1.036714 -2.387757 -0.137640
H 1.144268 2.579458 0.360366
H -5.294118 -0.350637 -0.304783
H -6.039775 1.542273 -1.735004
H -4.301298 1.751712 -2.385944
H 4.913563 -1.683836 -1.897580
H 4.278234 0.014960 -1.900383
H 3.309790 -1.318565 -2.645921
H 4.805698 0.172516 0.753459
H 4.193100 1.514821 1.799723
H 5.393373 1.868736 0.495913


