%chk=000042562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042562

0 1
 O    2.717200       2.639700     -0.6489000    
 O   2.6100000E-02   2.388500       1.882900    
 O  -0.5466000     -0.5578000      0.9763000    
 O    1.213000      -2.570100      0.5237000    
 O    1.735300      -4.800000      0.5530000    
 N   -3.993100     -0.7464000     -0.3079000    
 C   0.4187000       3.503300     -0.2711000    
 C   3.0600000E-02   2.199300      0.4677000    
 C    1.936100       3.705600     -9.9799998E-02
 C    1.022100       1.097500      0.1981000    
 C  -0.3177000       4.724800      0.3084000    
 C   5.7900000E-02   3.392800      -1.768400    
 C    2.296000       1.377500     -0.3185000    
 C   0.6804000     -0.2318000      0.4800000    
 C    3.205500      0.3436000     -0.5769000    
 C    1.601000      -1.247200      0.2280000    
 C    2.859400     -0.9795000     -0.2987000    
 C   -1.570800     -0.8496000      2.8700000E-02
 C   -2.915800     -0.4808000      0.6339000    
 C    3.767900      -2.086900     -0.5423000    
 C   -5.285400     -0.3523000      0.2586000    
 C   -4.016500      -2.162200     -0.6830000    
 C    3.393500      -3.337500     -0.2613000    
 C    2.065200      -3.646600      0.2998000    
 C   -5.286500       1.114100      0.6561000    
 C   -5.093500      -2.438100      -1.718400    
 H  -0.9772000       1.899700      0.1622000    
 H    2.254000       4.623200     -0.6093000    
 H    2.209700       3.825000      0.9569000    
 H   -1.403200       4.577300      0.2820000    
 H  -2.8500000E-02   4.920800       1.346500    
 H  -9.0099998E-02   5.630400     -0.2656000    
 H   -1.024300       3.279300      -1.900300    
 H   0.3651000       4.293400      -2.312200    
 H   0.5370000       2.537800      -2.255600    
 H    4.182800      0.5796000     -0.9929000    
 H  -0.7807000       2.880400       2.111200    
 H   -1.407700     -0.3031000     -0.9097000    
 H   -1.478700      -1.919900     -0.1718000    
 H   -3.055800      -1.019400       1.580900    
 H   -2.850900      0.5808000      0.8939000    
 H    4.749800      -1.881900     -0.9543000    
 H   -6.080700     -0.4571000     -0.4865000    
 H   -5.557800     -0.9684000       1.124900    
 H   -3.087000      -2.457900      -1.176400    
 H   -4.156100      -2.816800      0.1863000    
 H    4.065800      -4.169400     -0.4404000    
 H   -4.731000       1.298400       1.580900    
 H   -4.883000       1.752300     -0.1376000    
 H   -6.315800       1.441000      0.8436000    
 H   -6.099100      -2.438800      -1.286600    
 H   -5.059800      -1.717000      -2.542500    
 H   -4.941000      -3.433700      -2.150600    


%chk=000042562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042562

0 1
O 3.207882 2.741145 -0.300225
O 0.032682 2.736684 1.806846
O -0.850868 0.218016 0.524060
O 0.518054 -2.196240 -0.257281
O 0.493854 -4.485967 -0.520568
N -4.244496 -1.310047 0.093736
C 1.062535 4.023049 -0.026133
C 0.306188 2.719742 0.352800
C 2.530579 3.853476 0.420791
C 1.107807 1.474122 -0.009013
C 0.455052 5.243312 0.703020
C 0.983466 4.229130 -1.561222
C 2.497263 1.537407 -0.324021
C 0.458318 0.213759 0.020355
C 3.206696 0.383317 -0.699133
C 1.176615 -0.958686 -0.328583
C 2.548787 -0.872344 -0.712113
C -1.931518 -0.526891 -0.201728
C -3.158097 -0.518687 0.718678
C 3.222840 -2.108574 -1.057087
C -5.598651 -0.735964 0.307758
C -4.153071 -2.763395 0.411771
C 2.576718 -3.323563 -1.010805
C 1.178850 -3.448115 -0.604443
C -5.856913 0.520040 -0.546265
C -4.802319 -3.657993 -0.660594
H -0.660268 2.691412 -0.192136
H 3.138898 4.739565 0.178476
H 2.576053 3.644033 1.507321
H -0.611220 5.359368 0.435875
H 0.510169 5.123739 1.797051
H 0.983487 6.169377 0.407738
H -0.066418 4.374120 -1.875906
H 1.552226 5.129341 -1.858332
H 1.396497 3.372306 -2.121652
H 4.267157 0.462524 -0.955969
H -0.493444 1.916064 2.001312
H -2.147725 0.000628 -1.149119
H -1.591893 -1.552695 -0.412347
H -2.863740 -0.909339 1.720937
H -3.493541 0.523640 0.864930
H 4.275758 -2.060474 -1.358293
H -6.336756 -1.508698 0.027327
H -5.779059 -0.503364 1.388026
H -3.081696 -3.027536 0.484002
H -4.600404 -2.984074 1.413780
H 3.077798 -4.259262 -1.270938
H -5.149612 1.334863 -0.304698
H -5.745625 0.279162 -1.617785
H -6.879581 0.903576 -0.371618
H -5.884883 -3.461726 -0.767512
H -4.324912 -3.483420 -1.640278
H -4.679721 -4.723966 -0.393797


