%chk=000025808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025808

0 1
 O    2.409000     -0.4436000      3.7900001E-02
 O    2.131100       1.819500     -0.1277000    
 O   -4.337500      -1.007100      0.1959000    
 N   0.3072000      0.4523000      0.3215000    
 N   -2.487400     -6.4499997E-02 -1.0000000E-03
 N   -3.650600     -0.3089000     -0.5563000    
 C  -0.6525000       1.549800      0.3870000    
 C  -0.2365000     -0.8629000      0.6615000    
 C   -1.915900       1.226100     -0.4111000    
 C   -1.509100      -1.155300     -0.1363000    
 C    1.656600      0.7008000      6.0800001E-02
 C    3.807300     -0.2746000     -0.2218000    
 C    4.478400      -1.631600     -0.2104000    
 H  -0.2040000       2.476300      1.3900000E-02
 H  -0.8955000       1.705500       1.445300    
 H  -0.4532000     -0.8524000       1.736800    
 H   0.4968000      -1.654900      0.4855000    
 H   -1.675500       1.214200      -1.483700    
 H   -2.638100       2.037000     -0.2479000    
 H   -1.926300      -2.102700      0.2295000    
 H   -1.248500      -1.302000      -1.193900    
 H    3.941900      0.1965000      -1.201800    
 H    4.247800      0.3625000      0.5531000    
 H    5.550400      -1.539600     -0.4061000    
 H    4.336300      -2.123400      0.7575000    
 H    4.035400      -2.286800     -0.9677000    


%chk=000025808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025808

0 1
O 2.368978 -0.463564 0.095832
O 2.085524 1.853113 -0.194515
O -4.152461 -1.330475 0.247571
N 0.288487 0.472715 0.420420
N -2.373860 -0.051495 -0.288848
N -3.733189 -0.142503 -0.013598
C -0.676864 1.588681 0.441595
C -0.269460 -0.859098 0.730023
C -1.836620 1.294661 -0.541235
C -1.433134 -1.189685 -0.237989
C 1.609247 0.719677 0.086806
C 3.811709 -0.282175 -0.240069
C 4.438460 -1.672744 -0.239335
H -0.146055 2.510135 0.154453
H -1.079645 1.709196 1.467099
H -0.650545 -0.861384 1.770887
H 0.526198 -1.611796 0.642750
H -1.461275 1.357678 -1.580968
H -2.663648 2.012652 -0.411747
H -2.006960 -2.071226 0.099116
H -1.039398 -1.381917 -1.254299
H 3.882940 0.214012 -1.224483
H 4.264751 0.385402 0.514840
H 5.513942 -1.595265 -0.481915
H 4.340504 -2.151642 0.750067
H 3.959973 -2.322754 -0.991960


