%chk=000084572.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084572

0 1
 O   -3.318700      -1.776800       1.217200    
 O   -5.050900      0.2114000      0.2321000    
 O    3.756300      0.9500000       1.368200    
 O    4.795000     -6.0500000E-02  -1.003800    
 N   -3.046600       1.138300     -0.6257000    
 C   -1.629000      0.8079000     -0.6194000    
 C   -1.565800     -0.4651000      0.1597000    
 C   -2.934900     -0.8258000      0.5758000    
 C   -3.852900      0.2426000      4.4000000E-02
 C  -0.4949000      -1.199500      0.4626000    
 C   0.8975000     -0.8979000      7.9700001E-02
 C   -3.569500       2.316400      -1.284200    
 C    1.673100     -0.1099000      0.9133000    
 C    1.399100      -1.408900      -1.105300    
 C    2.989500      0.1752000      0.5511000    
 C    2.715500      -1.123700      -1.467600    
 C    3.510700     -0.3316000     -0.6393000    
 C    3.726500       2.357900       1.141600    
 H   -1.083800       1.620700     -0.1310000    
 H   -1.296500      0.6784000      -1.653400    
 H  -0.6071000      -2.113300       1.042100    
 H   -3.317700       2.264600      -2.346900    
 H   -3.106000       3.201100     -0.8395000    
 H   -4.654900       2.376600      -1.169200    
 H    1.271300      0.2866000       1.842600    
 H   0.7890000      -2.027000      -1.758500    
 H    3.109000      -1.525000      -2.397800    
 H    4.980600     -0.4928000      -1.855100    
 H    4.080500       2.593800      0.1330000    
 H    4.391400       2.835700       1.866100    
 H    2.713900       2.747800       1.285300    


%chk=000084572-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084572

0 1
O -3.351352 -2.346247 -0.391015
O -5.342952 -0.057884 -0.155777
O 3.027802 2.090336 -0.307216
O 4.995544 -0.010134 -0.602669
N -3.333785 1.195690 -0.123582
C -1.871172 0.999220 -0.180686
C -1.710416 -0.506526 -0.303019
C -3.062098 -1.123259 -0.307365
C -4.086438 0.023371 -0.188599
C -0.578286 -1.277224 -0.402753
C 0.833721 -0.906643 -0.422632
C -3.932709 2.521110 -0.003839
C 1.320237 0.429418 -0.311726
C 1.795536 -1.952946 -0.555105
C 2.694937 0.730947 -0.345698
C 3.169855 -1.668841 -0.595444
C 3.633957 -0.334590 -0.509248
C 4.165118 2.528183 0.532468
H -1.391449 1.399830 0.737380
H -1.440724 1.541459 -1.048693
H -0.784272 -2.356926 -0.481992
H -3.667349 3.159972 -0.868178
H -3.602040 3.026424 0.924030
H -5.027462 2.393238 0.026205
H 0.647589 1.281268 -0.197664
H 1.452968 -2.990554 -0.631354
H 3.894837 -2.485270 -0.711264
H 5.540499 -0.821673 -0.758104
H 4.011243 2.214738 1.582626
H 4.151268 3.626163 0.463705
H 5.117092 2.124549 0.154906


