%chk=000056542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056542

0 1
 O   0.2977000      0.2664000       1.091300    
 O   -3.227300      0.2662000       1.744900    
 O  -0.9318000      0.7034000       2.989400    
 N    4.648900     -0.1012000      -1.089800    
 C    4.239200      -1.287200     -0.3303000    
 C    2.851400      -1.070200      0.2913000    
 C    2.696000      0.2818000      0.9400000    
 C    4.771800       1.067600     -0.2030000    
 C    3.597200       1.252800      0.7175000    
 C    1.505900      0.4732000       1.829500    
 C    5.901000     -0.3409000      -1.804600    
 C   -2.074900      0.1759000      0.9025000    
 C  -0.8621000      0.4144000       1.800500    
 C   -2.166500       1.273500     -0.1558000    
 C   -2.809800      0.9968000      -1.341700    
 C   -1.603200       2.501100      0.1138000    
 C   -2.039200      -1.194400      0.3513000    
 C   -2.893900       1.999100      -2.308100    
 C   -1.687300       3.503500     -0.8526000    
 C   -2.332700       3.252400      -2.063600    
 C   -2.011700      -2.311800     -8.9599997E-02
 C   -1.974700      -3.632800     -0.6268000    
 C   -1.786700      -3.808400      -2.104900    
 C   -2.107100      -4.681400      0.1988000    
 H    4.969800      -1.517400      0.4572000    
 H    4.185700      -2.164100     -0.9874000    
 H    2.676400      -1.860500       1.031200    
 H    2.083900      -1.175600     -0.4860000    
 H    4.859300       1.967200     -0.8241000    
 H    5.677800       1.004200      0.4137000    
 H    3.496900       2.217700       1.206100    
 H    1.492700       1.484500       2.254100    
 H    1.553400     -0.2464000       2.655900    
 H    5.786600      -1.169800      -2.511800    
 H    6.727200     -0.5795000      -1.125200    
 H    6.181600      0.5390000      -2.394100    
 H   -3.275200      4.0199999E-02  -1.553800    
 H   -1.116900       2.745300       1.051900    
 H   -3.408900       1.204100       1.927600    
 H   -3.400900       1.805800      -3.248900    
 H   -1.256100       4.481700     -0.6602000    
 H   -2.400400       4.033800      -2.815000    
 H  -0.8376000      -3.364600      -2.424200    
 H   -1.775800      -4.863800      -2.397300    
 H   -2.598700      -3.319300      -2.653700    
 H   -2.083200      -5.699500     -0.1763000    
 H   -2.242700      -4.553800       1.268700    


%chk=000056542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056542

0 1
O 0.328492 1.441438 0.593302
O -2.730003 -0.069223 1.927676
O -0.249268 0.630309 2.708755
N 3.976818 -1.643998 -0.581618
C 3.662036 -1.688877 0.867479
C 2.465694 -0.770019 1.180599
C 2.641884 0.600112 0.545281
C 4.425406 -0.298129 -1.004113
C 3.554030 0.803211 -0.443176
C 1.758371 1.719226 1.031855
C 4.921463 -2.695699 -1.003034
C -1.847610 0.350206 0.835705
C -0.505163 0.842698 1.497158
C -2.543718 1.487727 0.065168
C -2.298700 1.697988 -1.311272
C -3.413925 2.356258 0.765131
C -1.457483 -0.796179 -0.015969
C -2.919693 2.772963 -1.984608
C -4.034253 3.430302 0.089511
C -3.788146 3.643862 -1.286619
C -1.076540 -1.779282 -0.663415
C -0.579123 -2.881432 -1.446135
C 0.627882 -2.590486 -2.330214
C -1.167682 -4.113918 -1.381470
H 4.543884 -1.380721 1.487236
H 3.418051 -2.732409 1.137344
H 2.342544 -0.667268 2.276714
H 1.534844 -1.236253 0.802038
H 4.403233 -0.251707 -2.111744
H 5.493087 -0.103295 -0.707203
H 3.680628 1.800452 -0.886344
H 1.991998 2.682617 0.553885
H 1.749202 1.813301 2.132943
H 4.507787 -3.688802 -0.754020
H 5.927904 -2.606963 -0.520613
H 5.065172 -2.650033 -2.097932
H -1.628423 1.020903 -1.850848
H -3.619953 2.162712 1.821664
H -2.144231 -0.320763 2.695764
H -2.729653 2.928195 -3.052636
H -4.714011 4.094748 0.634802
H -4.272549 4.475491 -1.810968
H 1.503684 -2.269555 -1.731910
H 0.909808 -3.485981 -2.910572
H 0.402505 -1.771633 -3.039060
H -0.786488 -4.951449 -1.976280
H -2.034691 -4.301645 -0.739836


