%chk=000004612.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004612

0 1
 O    3.454500       3.023300      0.2738000    
 O    3.834400      -2.501900      0.6048000    
 O    4.847200     -0.5692000      0.8458000    
 N  -0.7815000      -1.486400     -0.8891000    
 N   -4.235700     -0.2874000     -0.1723000    
 N    3.834800      -1.249200      0.5556000    
 C   -2.073100     -0.8815000      -1.178700    
 C   -1.886300      0.4706000      -1.874100    
 C  -0.9695000       1.401800      -1.081300    
 C   -2.896500     -0.7856000      0.1044000    
 C   0.2939000      0.6945000     -0.6591000    
 C   0.3242000     -0.7109000     -0.5637000    
 C    1.427400       1.446900     -0.3193000    
 C   -5.018500     -0.1854000       1.052400    
 C    1.518000      -1.331600     -0.1670000    
 C    2.600000      0.8120000      8.4700003E-02
 C    2.646600     -0.5768000      0.1569000    
 C   -6.414100      0.3500000      0.7453000    
 C   -4.292000      0.7161000       2.045600    
 C    3.786300       1.650700      0.4351000    
 H   -2.595800      -1.550600      -1.874600    
 H   -2.844600      0.9649000      -2.067900    
 H   -1.431000      0.2921000      -2.858600    
 H   -1.482100       1.777600     -0.1884000    
 H  -0.7228000       2.266800      -1.708600    
 H   -2.347000     -0.1498000      0.8041000    
 H   -2.958500      -1.781400      0.5633000    
 H  -0.7366000      -2.487200     -0.7356000    
 H   -4.706200     -0.9027000     -0.8352000    
 H    1.346700       2.528200     -0.3887000    
 H   -5.139300      -1.180000       1.500500    
 H    1.534600      -2.419100     -0.1153000    
 H   -7.018200      0.4060000       1.657300    
 H   -6.370600       1.353900      0.3080000    
 H   -6.939000     -0.3037000      3.9999999E-02
 H   -3.441600      0.2183000       2.522600    
 H   -4.966700      0.9990000       2.862600    
 H   -3.945800       1.646700       1.581000    
 H    4.065200       1.530200       1.486400    
 H    4.623000       1.464400     -0.2451000    
 H    4.244500       3.539300      0.5091000    


%chk=000004612-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004612

0 1
O 3.689286 3.040167 0.249970
O 3.957027 -2.731807 0.206788
O 5.150379 -0.815753 0.498497
N -0.737700 -1.416824 -0.792029
N -4.309839 -0.371458 -0.066649
N 4.039179 -1.440337 0.246860
C -2.049870 -0.792646 -1.041942
C -1.856480 0.636286 -1.602408
C -0.893341 1.466367 -0.722320
C -2.937240 -0.820270 0.237625
C 0.415633 0.734611 -0.482414
C 0.426371 -0.700032 -0.516663
C 1.613626 1.426765 -0.223848
C -5.211486 -0.148418 1.099145
C 1.646098 -1.373831 -0.273290
C 2.848510 0.783666 0.029872
C 2.823517 -0.642411 -0.002276
C -6.664774 -0.073971 0.588146
C -4.826811 1.147508 1.846497
C 4.083683 1.623428 0.310283
H -2.565434 -1.398877 -1.817801
H -2.848961 1.116163 -1.647969
H -1.451770 0.567881 -2.629571
H -1.381309 1.687473 0.249929
H -0.697036 2.447616 -1.191184
H -2.496970 -0.146374 0.994393
H -2.894907 -1.851042 0.672860
H -0.686865 -2.434612 -0.763217
H -4.756519 -0.997131 -0.753548
H 1.612817 2.520258 -0.206954
H -5.140892 -0.999623 1.823526
H 1.710191 -2.465969 -0.287199
H -7.364203 0.100718 1.424426
H -6.771178 0.754392 -0.136187
H -6.965493 -1.014626 0.087011
H -3.790980 1.111561 2.229541
H -5.496127 1.305408 2.712001
H -4.913183 2.013082 1.165260
H 4.500926 1.368591 1.305778
H 4.875457 1.398588 -0.433052
H 4.484969 3.598382 0.428819


