%chk=000051019.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051019

0 1
 O   0.6855000       2.255600     -0.3075000    
 O   -1.642900       1.229300      0.8208000    
 O    2.970500      0.6672000     -1.7400000E-02
 O  -0.5803000      -1.213100      2.5699999E-02
 O    3.082200      -1.670600       1.296400    
 N    4.697500      -2.516700     -0.1075000    
 C  -0.3127000       3.127300      0.2093000    
 C   -1.666600       2.454400      9.0999998E-02
 C    1.979200       2.836700     -0.2217000    
 C    2.996900       1.864000     -0.7857000    
 C   -2.457400      0.2303000      0.3802000    
 C   -1.924100     -0.9951000     -1.9500000E-02
 C   -3.835400      0.4407000      0.3301000    
 C   -2.769000      -2.010000     -0.4691000    
 C   -4.680200     -0.5742000     -0.1193000    
 C    3.892300     -0.2920000     -0.5163000    
 C   -4.147000      -1.799400     -0.5190000    
 C    3.827800      -1.541700      0.3297000    
 C  -0.1164000      -2.492800     -0.4003000    
 H  -9.3300000E-02   3.329500       1.264100    
 H  -0.3132000       4.070300     -0.3481000    
 H   -2.447400       3.104200      0.5002000    
 H   -1.878700       2.258300     -0.9680000    
 H    2.005800       3.773700     -0.7885000    
 H    2.207700       3.041800      0.8306000    
 H    3.998100       2.307300     -0.7492000    
 H    2.742900       1.624700      -1.824900    
 H   -4.266300       1.386900      0.6460000    
 H   -2.426200      -2.986500     -0.7936000    
 H   -5.753300     -0.4112000     -0.1562000    
 H    4.910800      0.1102000     -0.4742000    
 H    3.637800     -0.5534000      -1.549700    
 H   -4.805900      -2.589200     -0.8681000    
 H   0.9737000      -2.489300     -0.3112000    
 H  -0.3448000      -2.674000      -1.456200    
 H  -0.4873000      -3.292500      0.2496000    
 H    5.303100      -2.383100     -0.9111000    
 H    4.760100      -3.411100      0.3673000    


%chk=000051019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051019

0 1
O 1.165036 3.381426 -0.070989
O -1.088220 1.260646 0.320510
O 2.278666 0.641975 -0.731968
O -0.807717 -0.722193 2.043769
O 3.257638 -1.922742 -3.127903
N 1.303033 -1.469552 -1.918908
C -0.288988 3.521010 0.002014
C -1.042873 2.364139 -0.658059
C 1.762094 2.402726 0.862112
C 2.878421 1.668957 0.131621
C -1.527909 0.009166 -0.122536
C -1.379157 -1.067075 0.812476
C -2.085626 -0.244107 -1.395509
C -1.794436 -2.367309 0.448770
C -2.498148 -1.552634 -1.749946
C 3.260426 -0.044076 -1.572418
C -2.352738 -2.609969 -0.831366
C 2.603952 -1.236137 -2.285602
C -0.626532 -1.799219 3.020493
H -0.640273 3.639871 1.048328
H -0.503872 4.451969 -0.552717
H -2.078570 2.668695 -0.919646
H -0.503980 2.044413 -1.571644
H 2.189634 2.954805 1.725117
H 1.007931 1.680010 1.222378
H 3.560743 1.184452 0.865491
H 3.462791 2.390597 -0.477625
H -2.202627 0.571393 -2.114900
H -1.682921 -3.197373 1.152496
H -2.931697 -1.732477 -2.739102
H 4.107175 -0.433208 -0.966371
H 3.675331 0.637108 -2.343803
H -2.671523 -3.623215 -1.097307
H -0.165714 -1.315992 3.894200
H 0.045934 -2.588223 2.630701
H -1.596897 -2.247450 3.310344
H 0.855619 -0.851328 -1.238728
H 0.779493 -2.232579 -2.345072


