%chk=000045319.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045319

0 1
 O   -2.728100      0.1326000      0.2013000    
 O    2.029800     -0.4933000      7.3799998E-02
 O    3.186400      -2.481400      0.1693000    
 N   -6.411100      8.5800000E-02  0.3402000    
 N    7.818300       1.968400     -0.2439000    
 C   -5.063000      0.6480000      0.2679000    
 C   -6.817500     -0.4365000     -0.9639000    
 C   -7.361600       1.095100      0.8053000    
 C   -4.018700     -0.4568000      0.2904000    
 C   -1.703200     -0.8516000      0.2174000    
 C  -0.3420000     -0.1807000      0.1203000    
 C   -8.192000      -1.079900     -0.8934000    
 C   -7.443100       2.261100     -0.1653000    
 C   0.7939000      -1.189800      0.1534000    
 C    3.153300      -1.263000      9.1799997E-02
 C    4.371800     -0.4192000      4.6999999E-03
 C    5.633700      -1.013500      8.9999996E-03
 C    4.254500      0.9681000     -8.1799999E-02
 C    6.661000       1.166600     -0.1596000    
 C    6.778400     -0.2207000     -7.3200002E-02
 C    5.399200       1.761000     -0.1639000    
 H   -4.861200       1.295800       1.132200    
 H   -4.906500       1.275100     -0.6195000    
 H   -6.132100      -1.237400      -1.263200    
 H   -6.778100      0.3002000      -1.774100    
 H   -7.042800       1.467900       1.787600    
 H   -8.355500      0.6726000      0.9868000    
 H   -4.095000      -1.029300       1.223100    
 H   -4.140300      -1.144700     -0.5521000    
 H   -1.767800      -1.428100       1.147900    
 H   -1.840200      -1.535800     -0.6284000    
 H  -0.2846000      0.4211000     -0.7957000    
 H  -0.2234000      0.5448000      0.9352000    
 H   -8.273700      -1.770000     -4.6399999E-02
 H   -8.998700     -0.3436000     -0.8292000    
 H   -8.371100      -1.662200      -1.804500    
 H   -6.484800       2.759300     -0.3356000    
 H   -7.883600       1.993700      -1.129700    
 H   -8.105500       3.023200      0.2636000    
 H   0.7080000      -1.879300     -0.6948000    
 H   0.7590000      -1.763800       1.086900    
 H    5.746400      -2.092300      7.5599998E-02
 H    3.292500       1.472500     -8.8500001E-02
 H    7.756200     -0.6956000     -6.9100000E-02
 H    5.295400       2.841000     -0.2310000    
 H    7.733800       2.974400     -0.3046000    
 H    8.733500       1.538300     -0.2389000    


%chk=000045319-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045319

0 1
O -2.736272 0.038364 0.125819
O 2.067589 -0.480279 0.142802
O 3.268708 -2.440996 0.544701
N -6.477407 0.177954 0.102776
N 7.980899 1.948310 -0.448869
C -5.074304 0.659186 0.077809
C -6.956047 -0.280322 -1.225668
C -7.411969 1.056296 0.848219
C -4.093126 -0.510302 0.254889
C -1.699202 -0.979298 0.311275
C -0.342750 -0.281377 0.150705
C -8.226192 -1.148555 -1.150085
C -7.711874 2.443406 0.213887
C 0.817908 -1.264109 0.320381
C 3.264228 -1.208344 0.283848
C 4.459737 -0.360145 0.089756
C 5.744126 -0.959849 0.200875
C 4.376139 1.028498 -0.204795
C 6.827608 1.191696 -0.272111
C 6.910970 -0.203681 0.024226
C 5.537347 1.794959 -0.383354
H -4.915119 1.371068 0.908124
H -4.816408 1.201643 -0.861397
H -6.144695 -0.883855 -1.674869
H -7.130903 0.574168 -1.927857
H -6.988005 1.204719 1.859879
H -8.361936 0.508421 0.990671
H -4.236164 -0.976162 1.253396
H -4.263240 -1.293399 -0.517644
H -1.792671 -1.439666 1.321906
H -1.820493 -1.790394 -0.443717
H -0.294107 0.187494 -0.848538
H -0.261058 0.527456 0.898840
H -8.068535 -1.994215 -0.457375
H -9.102596 -0.574342 -0.798809
H -8.472747 -1.551556 -2.149740
H -6.785262 3.031113 0.077814
H -8.202697 2.345999 -0.771707
H -8.387873 3.023759 0.869652
H 0.797153 -2.074536 -0.432867
H 0.830947 -1.732770 1.322678
H 5.799988 -2.029814 0.428262
H 3.390061 1.493619 -0.291450
H 7.894343 -0.681155 0.113140
H 5.458639 2.865134 -0.610461
H 7.926598 2.940516 -0.660976
H 8.900564 1.523443 -0.370641


