%chk=000001680.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001680

0 1
 O   -1.792200      0.5956000       1.660500    
 O   -1.152100      -2.329200     -0.9177000    
 O    3.441800      -1.261700      -1.273700    
 O   -4.696100       3.220300      -1.145700    
 C   -2.619700      -1.556300      0.9031000    
 C   -1.449400     -0.8140000       1.573400    
 C   -3.265300     -0.4152000      0.1988000    
 C   -2.149900      -2.711300      3.3500001E-02
 C  -0.1432000     -0.9684000      0.8312000    
 C   -2.765800      0.7737000      0.7101000    
 C  -7.0400000E-02  -1.699700     -0.3602000    
 C    1.018800     -0.3560000       1.322800    
 C   -4.255800     -0.4053000     -0.7674000    
 C    2.222600     -0.4553000      0.6243000    
 C    1.129900      -1.781000      -1.070200    
 C   -3.225100       2.006000      0.2875000    
 C    2.276500      -1.162800     -0.5744000    
 C   -4.728100      0.8301000      -1.219200    
 C   -4.216900       2.028000     -0.6939000    
 C    3.441000      0.2112000       1.172400    
 C    3.605700       1.628400      0.6820000    
 C    4.615300       2.143300     -4.5699999E-02
 C    4.288800      -2.367600     -0.9681000    
 C    4.715800       3.571200     -0.5019000    
 C    5.773800       1.276100     -0.4614000    
 H   -3.322800      -1.915600       1.665400    
 H   -1.311000      -1.196600       2.592900    
 H   -1.747500      -3.522500      0.6544000    
 H   -2.988200      -3.133000     -0.5319000    
 H   0.9730000      0.2086000       2.251800    
 H   -4.667300      -1.327400      -1.163300    
 H    1.172800      -2.334100      -2.005500    
 H   -2.824200       2.925400      0.7002000    
 H   -5.504800      0.8513000      -1.979900    
 H    3.361300      0.2560000       2.267800    
 H    4.319200     -0.4137000       1.009000    
 H    2.801400       2.306600      0.9668000    
 H   -5.375500       3.051400      -1.820900    
 H    3.910400      -3.266800      -1.464100    
 H    4.358100      -2.545300      0.1097000    
 H    5.288700      -2.150300      -1.353200    
 H    5.602800       4.049200     -7.4299999E-02
 H    4.782400       3.618400      -1.593500    
 H    3.841000       4.153900     -0.1949000    
 H    6.706500       1.850400     -0.4113000    
 H    5.938000      0.4005000      0.1680000    
 H    5.641100      0.9451000      -1.496600    


%chk=000001680-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001680

0 1
O -1.817009 0.710864 1.645052
O -1.034641 -2.587118 -0.543343
O 3.677173 -1.369376 -0.717749
O -4.469708 3.125009 -1.650539
C -2.634544 -1.538777 1.085025
C -1.464450 -0.774727 1.788543
C -3.221658 -0.466407 0.173553
C -2.146945 -2.822681 0.395804
C -0.115604 -1.025401 1.150360
C -2.727314 0.796492 0.578620
C 0.033419 -1.852081 0.010936
C 1.039174 -0.356965 1.633242
C -4.154242 -0.536973 -0.871089
C 2.299470 -0.458539 1.017982
C 1.279745 -1.988404 -0.639251
C -3.131649 2.001057 -0.012262
C 2.399442 -1.289222 -0.141869
C -4.586009 0.657591 -1.501614
C -4.075404 1.907121 -1.063906
C 3.502721 0.328975 1.527050
C 3.624105 1.686495 0.844779
C 4.649560 2.150068 0.074586
C 3.828163 -2.184760 -1.925055
C 4.599492 3.550505 -0.518325
C 5.901789 1.360828 -0.265470
H -3.388992 -1.840193 1.841041
H -1.439250 -0.925877 2.880212
H -1.813462 -3.559424 1.156429
H -2.941418 -3.274971 -0.219957
H 0.934827 0.294167 2.510256
H -4.552004 -1.500430 -1.209610
H 1.335790 -2.647058 -1.509277
H -2.741861 2.971404 0.301578
H -5.309707 0.615068 -2.325136
H 3.377684 0.489802 2.616888
H 4.423840 -0.259798 1.387606
H 2.759003 2.349396 1.001963
H -5.110393 2.964985 -2.386940
H 3.182114 -1.811596 -2.742716
H 3.594403 -3.248311 -1.723300
H 4.885753 -2.084217 -2.210263
H 5.478602 4.148005 -0.203198
H 4.623573 3.512402 -1.626087
H 3.688198 4.093889 -0.213759
H 6.791995 1.800022 0.228795
H 5.828230 0.300780 0.023273
H 6.093401 1.399979 -1.356159


