%chk=000089604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089604

0 1
 O   -1.887900      -1.281900     -0.1475000    
 O    2.256500     -0.6831000     -0.3774000    
 O   -3.890600     -0.7818000      0.8718000    
 O    2.959800      -2.392000      0.9955000    
 N   -3.461100      -2.884900      4.7400001E-02
 N    4.405400      -1.363500     -0.4672000    
 C  -1.1000000E-02  0.2577000     -0.4931000    
 C   0.5043000       1.738500     -0.2446000    
 C   0.5795000       2.101800       1.264900    
 C  -0.3250000       2.802500      -1.017200    
 C   -1.442200      5.4000001E-02  6.4900003E-02
 C   0.9445000     -0.7827000      0.1633000    
 C  -2.1800000E-02 -5.0900001E-02  -2.013500    
 C    1.134500       3.502000       1.502100    
 C   -1.784100       2.892700     -0.5857000    
 C   -3.144000      -1.574700      0.3077000    
 C    3.183200      -1.553800      0.1285000    
 H    1.526700       1.802200     -0.6434000    
 H  -0.3862000       2.017300       1.769300    
 H    1.256200       1.404500       1.769800    
 H  -0.2793000       2.614300      -2.095600    
 H   0.1429000       3.786300     -0.8980000    
 H   -2.176400      0.6468000     -0.4599000    
 H   -1.482300      0.2625000       1.138300    
 H   0.5775000      -1.799300     -2.8200001E-02
 H   0.9781000     -0.6526000       1.250500    
 H  -0.1848000      -1.117900      -2.204900    
 H  -0.8227000      0.4879000      -2.530400    
 H   0.9277000      0.2266000      -2.484500    
 H    2.059900       3.665200      0.9409000    
 H   0.4125000       4.277500       1.230800    
 H    1.360500       3.634600       2.565600    
 H   -1.982700       2.627300      0.4532000    
 H   -2.098300       3.940500     -0.6832000    
 H   -2.442200       2.358100      -1.276300    
 H   -2.808300      -3.502800     -0.4228000    
 H   -4.357600      -3.275300      0.3173000    
 H    4.540500     -0.6555000      -1.181100    
 H    5.210900      -1.924800     -0.2118000    


%chk=000089604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089604

0 1
O -1.766515 -1.405623 0.605877
O 2.404057 -0.550765 0.030070
O -3.487448 -0.713107 -0.864033
O 2.218674 -2.816628 -0.636008
N -3.099138 -2.971220 -0.352737
N 4.050987 -1.474663 -1.225897
C 0.023327 0.241917 -0.005990
C 0.435332 1.772076 0.053885
C 0.289087 2.389674 1.478465
C -0.204954 2.681955 -1.041254
C -1.313700 0.003982 0.749449
C 1.091885 -0.622430 0.722491
C -0.091545 -0.256985 -1.470075
C 1.035387 3.731662 1.653548
C -1.729104 2.944735 -0.970791
C -2.850940 -1.619744 -0.269629
C 2.837443 -1.723992 -0.620590
H 1.523662 1.766173 -0.175648
H -0.780040 2.539536 1.726619
H 0.683004 1.679657 2.232633
H 0.037097 2.265699 -2.036991
H 0.318165 3.657903 -0.998210
H -2.110898 0.662342 0.371510
H -1.197303 0.141727 1.837817
H 0.769839 -1.678001 0.758873
H 1.291999 -0.254774 1.744009
H -0.180978 -1.357207 -1.499035
H -0.972537 0.171392 -1.976367
H 0.810494 0.019436 -2.044235
H 2.105329 3.625506 1.391478
H 0.609515 4.527061 1.015932
H 0.977328 4.081015 2.701089
H -2.037111 3.336137 0.016764
H -2.015131 3.702513 -1.724115
H -2.325969 2.038935 -1.180245
H -2.508969 -3.633811 0.144716
H -3.859797 -3.293077 -0.943841
H 4.484363 -0.557638 -1.152856
H 4.507702 -2.228066 -1.731176


