%chk=000002339.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002339

0 1
 O  -0.5612000       2.005000       1.505400    
 O    3.168100     -0.2332000     -0.1483000    
 O   -4.686400       1.763600      -1.179000    
 O    1.594500      -1.307400      -1.430800    
 O   -6.078300      -2.982000     -0.5839000    
 N   -2.154300       1.617800     -0.1397000    
 N   0.9940000      8.5100003E-02  0.3255000    
 C  -0.4373000     -4.3600000E-02  0.2159000    
 C  -0.9865000      -1.170800       1.098000    
 C   -1.043200       1.293700      0.6265000    
 C   -2.344500      -1.653500      0.6501000    
 C   -2.888100       2.854000      9.8999999E-03
 C   -2.444300      -2.694200     -0.2734000    
 C   -3.499500      -1.059400       1.158800    
 C   -2.356500       3.941600     -0.9059000    
 C   -4.346100       2.555900     -0.3002000    
 C    1.889800     -0.5571000     -0.5064000    
 C   -3.699000      -3.140800     -0.6880000    
 C   -4.754100      -1.505900      0.7442000    
 C   -4.853800      -2.546700     -0.1791000    
 C   -5.373700       3.323900      0.4908000    
 C    4.206800     -0.8321000     -0.9315000    
 C    5.537900     -0.3761000     -0.4105000    
 C    6.130000      0.7776000     -0.9245000    
 C    6.183500      -1.105900      0.5875000    
 C    7.367800       1.201400     -0.4405000    
 C    7.421200     -0.6822000       1.071600    
 C    8.013200      0.4714000      0.5575000    
 H  -0.6638000     -0.2419000     -0.8393000    
 H   -1.036700     -0.8554000       2.148900    
 H  -0.2966000      -2.025600       1.088600    
 H   -2.808200       3.173700       1.054800    
 H   -2.457400      0.9735000     -0.8647000    
 H    1.375000      0.6658000       1.067100    
 H   -1.551600      -3.162900     -0.6790000    
 H   -3.437100     -0.2517000       1.883100    
 H   -1.304100       4.155100     -0.6910000    
 H   -2.925400       4.869400     -0.7862000    
 H   -2.426300       3.643800      -1.958500    
 H   -3.763300      -3.951700      -1.408500    
 H   -5.650000      -1.038900       1.144200    
 H   -5.246000       3.115900       1.556000    
 H   -5.263500       4.393600      0.2982000    
 H   -6.377800       3.010900      0.1911000    
 H    4.131500      -1.925100     -0.8723000    
 H    4.092000     -0.5410000      -1.983100    
 H    5.635900       1.355900      -1.700800    
 H    5.731400      -2.005200      0.9974000    
 H   -5.959900      -3.705500      -1.223200    
 H    7.828600       2.099900     -0.8403000    
 H    7.923700      -1.250100       1.849100    
 H    8.976800      0.8014000      0.9345000    


%chk=000002339-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000002339

0 1
O -0.551874 1.995509 1.213172
O 3.329025 -0.193202 -0.210881
O -4.666065 1.413012 -1.377219
O 1.776063 -1.586873 -1.323586
O -6.389251 -2.517156 0.003437
N -2.247667 1.457578 -0.286182
N 1.100250 0.157497 0.089740
C -0.334023 -0.086009 -0.068956
C -0.810672 -1.297303 0.814820
C -1.052557 1.215767 0.334433
C -2.270256 -1.657019 0.604200
C -3.106295 2.592650 0.071179
C -2.695393 -2.269334 -0.603287
C -3.253152 -1.361813 1.584988
C -2.517847 3.942610 -0.434494
C -4.501615 2.337209 -0.534382
C 2.029658 -0.622905 -0.545979
C -4.055955 -2.565692 -0.834243
C -4.614900 -1.657421 1.375017
C -5.016504 -2.252962 0.157669
C -5.641329 3.225832 -0.076133
C 4.426784 -0.965932 -0.879330
C 5.736856 -0.434500 -0.351718
C 6.388958 0.645559 -0.998055
C 6.332262 -1.004876 0.801428
C 7.610590 1.150407 -0.499903
C 7.553853 -0.503418 1.302987
C 8.195825 0.576337 0.652788
H -0.538439 -0.337956 -1.126443
H -0.610968 -1.047700 1.872756
H -0.156453 -2.143969 0.535105
H -3.190566 2.653246 1.175362
H -2.656008 0.786281 -0.950082
H 1.379049 0.917661 0.718539
H -1.952318 -2.529321 -1.367616
H -2.945612 -0.896327 2.529521
H -1.497720 4.048012 -0.031529
H -3.119065 4.798529 -0.081359
H -2.475011 3.962239 -1.537298
H -4.364280 -3.037624 -1.776320
H -5.373589 -1.437853 2.132153
H -5.846252 3.043894 0.996532
H -5.387413 4.296038 -0.177796
H -6.548928 3.003939 -0.657222
H 4.282647 -2.036968 -0.651228
H 4.326254 -0.827760 -1.970835
H 5.934504 1.093269 -1.890190
H 5.834116 -1.840327 1.308099
H -6.576296 -2.894924 -0.891547
H 8.105260 1.985631 -1.008104
H 8.004755 -0.952665 2.194836
H 9.144764 0.965105 1.039258


