%chk=000047406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047406

0 1
 O   0.7374000       5.095200      1.2800000E-02
 O    2.110200       2.682000     -0.1377000    
 O    5.216600      -2.784300       1.594500    
 N   -1.294100       2.037200      0.5376000    
 N    4.550100      -2.276100     -0.6092000    
 C   -3.604500      0.2354000      0.4462000    
 C   -2.469800      6.8000004E-02   1.468800    
 C   -3.079800      0.9656000     -0.8000000    
 C   -1.794800       1.409000       1.768100    
 C   -2.383300       2.274800     -0.4194000    
 C  -0.6034000       3.289200      0.8472000    
 C   -4.268500      -1.083900      0.1020000    
 C   5.7799999E-02   3.902500     -0.3894000    
 C   -5.634400      -1.123600     -0.1724000    
 C   -3.511400      -2.253200      6.0300000E-02
 C    1.065100       2.971800      -1.061000    
 C   -6.245300      -2.336800     -0.4892000    
 C   -4.122400      -3.466400     -0.2566000    
 C   -5.489200      -3.508300     -0.5314000    
 C    2.711500       1.457200     -0.2538000    
 C    3.238800      0.8385000      0.8747000    
 C    2.791400      0.8440000      -1.499500    
 C    3.853400     -0.4081000      0.7561000    
 C    3.405900     -0.4027000      -1.618100    
 C    3.936800      -1.028600     -0.4903000    
 C    5.134100      -3.052800      0.4003000    
 C    5.691600      -4.345500     -0.1406000    
 H   -4.364000      0.8749000      0.9195000    
 H   -2.855000     -0.3646000       2.400500    
 H   -1.683200     -0.6020000       1.104100    
 H   -2.377600      0.3224000      -1.347600    
 H   -3.907200       1.180400      -1.487800    
 H  -0.9609000       1.223200       2.456200    
 H   -2.502200       2.070400       2.285500    
 H   -3.119200       2.980000     -1.1200000E-02
 H   -2.013900       2.693700      -1.359600    
 H   0.1682000       3.112300       1.608700    
 H   -1.287600       4.023700       1.294300    
 H  -0.6845000       4.229800      -1.122100    
 H   -6.233800     -0.2177000     -0.1453000    
 H   -2.442200      -2.269700      0.2362000    
 H   0.5437000       2.072800      -1.410500    
 H    1.513100       3.484500      -1.920500    
 H   -7.309300      -2.369400     -0.7042000    
 H   -3.533100      -4.378000     -0.2965000    
 H    1.448200       4.839300      0.6253000    
 H   -5.964500      -4.452600     -0.7799000    
 H    3.174700       1.319600       1.846700    
 H    2.420300       1.310900      -2.406800    
 H    4.240600     -0.8298000       1.673100    
 H    3.470100     -0.8720000      -2.596600    
 H    4.570700      -2.661800      -1.551000    
 H    6.440300      -4.134200     -0.9093000    
 H    6.163300      -4.912500      0.6668000    
 H    4.884200      -4.944300     -0.5712000    


%chk=000047406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047406

0 1
O 0.990974 4.558298 -0.281553
O 1.998944 1.988955 0.052591
O 7.050984 -1.978205 1.617160
N -1.712413 1.982557 0.390316
N 5.778110 -2.216803 -0.342947
C -4.214984 0.396851 0.464512
C -2.893060 -0.086635 1.124133
C -3.870482 1.366110 -0.700625
C -2.013862 1.105005 1.550132
C -2.959759 2.511870 -0.216894
C -0.718631 3.041526 0.689745
C -5.104099 -0.760437 0.016321
C 0.144683 3.387106 -0.550354
C -6.396083 -0.940499 0.572930
C -4.663848 -1.685054 -0.968625
C 0.992838 2.196517 -1.011363
C -7.226876 -2.008540 0.162237
C -5.488973 -2.753202 -1.382773
C -6.775848 -2.920178 -0.818863
C 2.912428 0.931744 -0.101823
C 3.867619 0.779182 0.931587
C 2.918949 0.040085 -1.201772
C 4.826088 -0.248446 0.882703
C 3.879883 -0.990780 -1.251348
C 4.838739 -1.148926 -0.219218
C 6.802312 -2.582857 0.531269
C 7.623424 -3.790260 0.080093
H -4.771560 0.981952 1.227774
H -3.118281 -0.717502 2.005114
H -2.326830 -0.708812 0.404893
H -3.351459 0.809509 -1.504264
H -4.799834 1.784651 -1.131976
H -1.058204 0.736356 1.965849
H -2.536802 1.673016 2.364506
H -3.522496 3.144021 0.520482
H -2.696541 3.166936 -1.067902
H -0.043700 2.682299 1.488844
H -1.189862 3.984987 1.050782
H -0.506771 3.696294 -1.387352
H -6.753226 -0.236078 1.335003
H -3.668749 -1.571253 -1.416247
H 0.348376 1.302416 -1.114119
H 1.509541 2.426181 -1.963629
H -8.222066 -2.128153 0.605809
H -5.130965 -3.455858 -2.144269
H 1.757699 4.240236 0.264004
H -7.416763 -3.748916 -1.140232
H 3.847600 1.476923 1.774659
H 2.192713 0.133427 -2.013706
H 5.562834 -0.368719 1.678578
H 3.878638 -1.678362 -2.107381
H 5.680538 -2.785807 -1.186438
H 7.297023 -4.224518 -0.881192
H 8.682020 -3.490396 -0.007156
H 7.569072 -4.570413 0.858793


