%chk=000005598.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005598

0 1
 O   -1.900000      -2.826700      0.3592000    
 O   -3.031200       2.010900      -1.569600    
 N   -3.363200      -1.045100      0.1403000    
 N   -1.492300      0.3559000      -1.118900    
 N    3.196500      0.5737000      0.5855000    
 C   -3.555400      0.3969000      0.1443000    
 C   -5.059100      0.5618000     -4.3600000E-02
 C   -4.613600      -1.757700      0.3391000    
 C   -5.622000     -0.6658000      0.6692000    
 C  -0.9907000     -0.6733000     -0.2144000    
 C   -2.119300      -1.645500      9.7000003E-02
 C   -2.712600      0.9929000     -0.9602000    
 C  -0.3658000     -9.6000001E-02   1.045900    
 C    1.017300      0.4429000      0.7898000    
 C    2.167500     -0.2733000      0.8985000    
 C    1.316800       1.761400      0.4028000    
 C    2.706400       1.823100      0.2786000    
 C    2.424900      -1.679200       1.266500    
 C   0.5603000       2.921000      0.1414000    
 C    3.380000       2.991200     -9.5799997E-02
 C    2.436500      -2.664000      0.1093000    
 C    1.220600       4.096700     -0.2339000    
 C    2.608900       4.128900     -0.3502000    
 C    3.490600      -3.089000     -0.6130000    
 C    3.425200      -4.069800      -1.749300    
 C    4.873800      -2.571900     -0.3186000    
 H   -3.231200      0.7895000       1.114000    
 H   -5.333900      0.5360000      -1.105500    
 H   -5.432200       1.499800      0.3781000    
 H   -4.514400      -2.507200       1.129600    
 H   -4.859300      -2.263600     -0.6007000    
 H   -5.638100     -0.4874000       1.751300    
 H   -6.636700     -0.9184000      0.3499000    
 H  -0.2511000      -1.235300     -0.7977000    
 H  -0.3129000     -0.8664000       1.825300    
 H  -0.9853000      0.7011000       1.473400    
 H  -0.8541000      0.7259000      -1.816800    
 H    4.176100      0.3259000      0.5810000    
 H    3.350000      -1.754200       1.849700    
 H    1.654600      -2.022600       1.969300    
 H  -0.5218000       2.917700      0.2318000    
 H    4.460700       3.017200     -0.1864000    
 H    1.456900      -3.064900     -0.1486000    
 H   0.6424000       4.994500     -0.4356000    
 H    3.101200       5.052800     -0.6428000    
 H    3.789300      -3.609200      -2.673200    
 H    2.400200      -4.411500      -1.927000    
 H    4.038200      -4.949800      -1.530200    
 H    5.536300      -3.408900     -7.1800001E-02
 H    4.938900      -1.861400      0.5056000    
 H    5.277300      -2.070700      -1.205400    


%chk=000005598-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005598

0 1
O -2.503980 -2.717278 0.213337
O -3.402540 2.546387 -0.950857
N -3.802033 -0.807881 0.502366
N -1.956826 0.719142 -0.884239
N 3.056747 0.310573 -0.274761
C -3.985587 0.666133 0.505115
C -5.507372 0.822710 0.281151
C -5.060220 -1.530228 0.830287
C -6.087456 -0.388135 1.059937
C -1.481520 -0.553974 -0.301187
C -2.643092 -1.453572 0.159301
C -3.101145 1.394158 -0.515059
C -0.449882 -0.342018 0.863031
C 0.875896 0.204792 0.395030
C 2.029794 -0.551810 0.142140
C 1.211477 1.595025 0.117650
C 2.589507 1.627414 -0.305918
C 2.302525 -2.032790 0.306637
C 0.491600 2.819942 0.187682
C 3.247781 2.824794 -0.659655
C 3.249461 -2.581744 -0.749456
C 1.144726 4.018474 -0.161037
C 2.507132 4.022414 -0.582319
C 4.493915 -3.111900 -0.559243
C 5.296630 -3.644007 -1.736926
C 5.182074 -3.252826 0.788014
H -3.724391 1.078247 1.505869
H -5.730473 0.748384 -0.797926
H -5.878096 1.795291 0.638510
H -4.920330 -2.176395 1.714525
H -5.332436 -2.185568 -0.017898
H -6.154409 -0.148678 2.137183
H -7.095940 -0.668292 0.714330
H -0.969929 -1.123303 -1.097679
H -0.312247 -1.325042 1.349886
H -0.905977 0.330623 1.615724
H -1.315793 1.227546 -1.502459
H 3.977741 -0.016879 -0.563938
H 2.700627 -2.226126 1.322136
H 1.338434 -2.573916 0.251301
H -0.556774 2.840816 0.505395
H 4.295485 2.830626 -0.981011
H 2.861804 -2.539968 -1.778728
H 0.596499 4.965684 -0.113126
H 2.985051 4.971505 -0.849469
H 6.269239 -3.120664 -1.827501
H 4.753446 -3.531994 -2.691023
H 5.529715 -4.718579 -1.599779
H 5.319539 -4.322849 1.040879
H 4.627881 -2.780015 1.614725
H 6.194926 -2.805349 0.756248


