%chk=000005059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005059

0 1
 O   -4.496400      -1.840200      -2.189000    
 O   0.1978000     -0.9394000      0.9074000    
 N    2.956400     -0.4852000     -0.6116000    
 C   -5.418500     -7.5099997E-02 -0.8251000    
 C   -5.206700       1.088000      0.1499000    
 C   -4.135700     -0.7454000      -1.342700    
 C   -4.455100       2.269100     -0.4676000    
 C   -3.240400      -1.280000     -0.2493000    
 C   -4.352900       3.434900      0.5167000    
 C   -1.924200     -0.8539000     -0.1817000    
 C   -3.753600      -2.186300      0.6641000    
 C   -3.642800       4.627300     -0.1043000    
 C   -1.097900      -1.347800      0.8276000    
 C   -2.927300      -2.680100       1.673300    
 C   -1.599500      -2.260900       1.755200    
 C   0.6457000     -4.3000001E-03 -7.2899997E-02
 C    2.097700      0.3035000      7.5099997E-02
 C    4.772100      0.8095000      0.3017000    
 C    4.275400     -0.2381000     -0.5019000    
 C    2.489200       1.350500      0.8853000    
 C    3.849000       1.602700      0.9964000    
 C    6.155500       1.038900      0.3933000    
 C    5.193000      -1.025600      -1.191800    
 C    7.050600      0.2356000     -0.3073000    
 C    6.568400     -0.7978000      -1.100900    
 H   -6.065500     -0.8215000     -0.3463000    
 H   -5.998300      0.2771000      -1.688800    
 H   -4.683600      0.7429000       1.049000    
 H   -6.194200       1.431600      0.4831000    
 H   -3.593100     -3.4800000E-02  -1.976200    
 H   -3.446100       1.963100     -0.7645000    
 H   -4.974700       2.598700      -1.375400    
 H   -3.808900       3.117400       1.413900    
 H   -5.355400       3.742700      0.8364000    
 H   -1.593600     -0.1398000     -0.9270000    
 H   -4.781600      -2.531200      0.6098000    
 H   -2.624900       4.362800     -0.4079000    
 H   -3.579700       5.448500      0.6165000    
 H   -4.181400       4.989600     -0.9857000    
 H   -3.685700      -2.326400      -2.417700    
 H   -3.317100      -3.392900       2.394300    
 H  -0.9603000      -2.649600       2.543300    
 H   0.5136000     -0.4227000      -1.080100    
 H   7.7299997E-02  0.9324000      2.4999999E-03
 H    1.772200       1.960700       1.423400    
 H    4.185100       2.421300       1.628700    
 H    6.543500       1.845300       1.011700    
 H    4.840700      -1.841600      -1.820200    
 H    8.118700      0.4158000     -0.2341000    
 H    7.259600      -1.429500      -1.651100    


%chk=000005059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005059

0 1
O -5.498420 -1.955321 -1.386252
O 0.027404 -1.307548 1.121838
N 2.659596 0.559433 -0.590168
C -5.512163 0.198909 -0.345136
C -4.794849 1.486744 0.122796
C -4.579505 -0.902316 -0.895590
C -4.101994 2.285826 -1.006839
C -3.611816 -1.456524 0.147938
C -3.536978 3.641875 -0.524516
C -2.240207 -1.102780 0.099639
C -4.081010 -2.315232 1.171446
C -2.814921 4.426702 -1.641057
C -1.347665 -1.600160 1.080629
C -3.179480 -2.809700 2.142326
C -1.815789 -2.456846 2.105881
C 0.564267 -0.426257 0.081184
C 2.054166 -0.240268 0.311117
C 4.803083 0.187627 0.609071
C 4.022669 0.783262 -0.457838
C 2.741823 -0.871134 1.399034
C 4.112885 -0.653516 1.541340
C 6.207289 0.460450 0.685328
C 4.673674 1.631286 -1.410291
C 6.817545 1.291207 -0.257210
C 6.044951 1.879652 -1.310656
H -6.085565 -0.239069 0.494202
H -6.239862 0.441810 -1.143850
H -4.051907 1.238287 0.907180
H -5.547443 2.143003 0.605055
H -3.994191 -0.499298 -1.750143
H -3.274195 1.691004 -1.445755
H -4.826235 2.462076 -1.829657
H -2.838079 3.466206 0.318847
H -4.366740 4.254183 -0.115817
H -1.888611 -0.447067 -0.704524
H -5.139603 -2.593479 1.194333
H -1.955910 3.852894 -2.037665
H -2.431294 5.395947 -1.272767
H -3.498880 4.632306 -2.486198
H -4.959161 -2.742063 -1.657073
H -3.539618 -3.476022 2.934194
H -1.104745 -2.831413 2.848561
H 0.399415 -0.866515 -0.923408
H 0.060117 0.561397 0.110952
H 2.175768 -1.503451 2.085297
H 4.670838 -1.120524 2.361531
H 6.795449 0.008346 1.493278
H 4.062119 2.068787 -2.205440
H 7.891608 1.497779 -0.195859
H 6.538571 2.529302 -2.041790


