%chk=000040371.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040371

0 1
 O   -2.714600     -0.7082000       1.315700    
 O   -2.764900      -1.097700      -1.062500    
 N    1.293200      -1.357900      0.1369000    
 N    4.563200      0.4031000     -0.1751000    
 C   -2.493200      -1.659300      0.2453000    
 C   -1.030400      -2.099900      0.2865000    
 C  -9.4099998E-02 -0.9101000      0.1129000    
 C    2.204400     -0.2357000     -3.7900001E-02
 C    3.650600     -0.7187000      1.7700000E-02
 C   -3.423300      -2.852500      0.4605000    
 C   -3.112600      0.3927000      0.6197000    
 C   -3.141200      0.1704000     -0.7380000    
 C    5.953000     -5.5599999E-02 -0.1601000    
 C    4.352800       1.420900      0.8555000    
 C   -3.457700       1.612600       1.163200    
 C   -3.516500       1.155800      -1.627500    
 C    6.193400      -1.113800      -1.223400    
 C    5.251500       2.624900      0.6295000    
 C   -3.842100       2.628000      0.2842000    
 C   -3.871400       2.400900      -1.103100    
 H  -0.8394000      -2.829600     -0.5111000    
 H  -0.8171000      -2.586200       1.247300    
 H  -0.2902000     -0.4141000     -0.8442000    
 H  -0.2537000     -0.1818000      0.9161000    
 H    2.014200      0.2613000     -0.9973000    
 H    1.980800      0.4675000      0.7683000    
 H    3.757700      -1.459400     -0.7824000    
 H    3.845500      -1.229600      0.9705000    
 H   -3.257400      -3.315500       1.438800    
 H   -3.292000      -3.605800     -0.3234000    
 H   -4.471100      -2.532100      0.4283000    
 H    1.488200      -1.829000       1.020000    
 H    6.244700     -0.4483000      0.8222000    
 H    6.632900      0.7673000     -0.4031000    
 H    4.505700       1.023700       1.866700    
 H    3.343800       1.837400      0.8087000    
 H   -3.433500       1.783600       2.233400    
 H   -3.537300      0.9765000      -2.696400    
 H    7.271600      -1.260000      -1.355600    
 H    5.785400     -0.8158000      -2.195400    
 H    5.781900      -2.089000     -0.9454000    
 H    4.918400       3.456100       1.261600    
 H    5.214400       2.971000     -0.4092000    
 H    6.292700       2.426800      0.9020000    
 H   -4.121200       3.603000      0.6744000    
 H   -4.172700       3.202600      -1.771800    


%chk=000040371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040371

0 1
O -2.869437 -0.505346 1.289727
O -2.635822 -1.056574 -1.041113
N 1.374184 -1.171745 0.572006
N 4.869518 0.259743 0.125160
C -2.451187 -1.619847 0.351092
C -0.973645 -1.940008 0.577987
C -0.021705 -0.761698 0.298823
C 2.395757 -0.170095 0.192268
C 3.811482 -0.738961 0.417240
C -3.410865 -2.793198 0.532048
C -3.482708 0.479109 0.483056
C -3.344197 0.155921 -0.886139
C 6.111203 -0.349086 -0.422740
C 5.126296 1.174311 1.270818
C -4.125266 1.646443 0.904564
C -3.840720 0.985707 -1.894919
C 5.967621 -0.771337 -1.897485
C 5.687659 2.541791 0.835726
C -4.640194 2.500809 -0.111475
C -4.500738 2.177650 -1.481246
H -0.689934 -2.791662 -0.066997
H -0.867580 -2.275602 1.629098
H -0.094807 -0.484954 -0.768686
H -0.343585 0.126807 0.892751
H 2.277646 0.062558 -0.882036
H 2.284625 0.798310 0.741468
H 3.933962 -1.610075 -0.249303
H 3.893710 -1.131480 1.464976
H -3.326362 -3.199057 1.554717
H -3.172845 -3.590917 -0.191994
H -4.450299 -2.463158 0.366940
H 1.490659 -1.463418 1.554469
H 6.442564 -1.224909 0.192170
H 6.916727 0.404349 -0.350576
H 5.813325 0.704330 2.021243
H 4.164288 1.340094 1.790809
H -4.224011 1.888434 1.966149
H -3.724127 0.727741 -2.950872
H 6.914689 -1.203707 -2.271820
H 5.706098 0.103877 -2.517288
H 5.175866 -1.530542 -2.031821
H 5.845520 3.193667 1.715580
H 4.982318 3.038122 0.146826
H 6.657220 2.442308 0.314901
H -5.153589 3.423355 0.178791
H -4.906912 2.852438 -2.241894


