%chk=000004990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004990

0 1
 O    2.818400      0.2684000      0.1272000    
 O   -2.820700      0.2734000      0.1291000    
 O    4.665800      0.6329000      -1.187500    
 O   -4.665400      0.6395000      -1.189200    
 N  -1.6000000E-03 -0.8474000     -0.6876000    
 N    4.244500       1.916900      0.6982000    
 N   -4.239000       1.916900      0.6999000    
 C    1.146600      -1.387100     -0.2207000    
 C   -1.144200      -1.391200     -0.2220000    
 C    2.418200     -0.7942000     -0.7290000    
 C   -2.421500     -0.7953000     -0.7365000    
 C    1.199200      -2.436600      0.6826000    
 C   -1.206000      -2.437500      0.6783000    
 C  -3.8999999E-03  -2.966100       1.135800    
 C    3.977900      0.9160000     -0.2123000    
 C   -3.976000      0.9178000     -0.2137000    
 C    5.396800       2.784900      0.6212000    
 C   -5.388900       2.788500      0.6263000    
 H    3.205600      -1.556400     -0.7775000    
 H    2.259000     -0.4052000      -1.742400    
 H   -3.210700      -1.555500     -0.7832000    
 H   -2.259800     -0.4019000      -1.747600    
 H    2.142000      -2.840900       1.035300    
 H   -2.150200      -2.841200       1.027000    
 H  -4.9000001E-03  -3.788300       1.845000    
 H    3.594500       2.051400       1.466400    
 H   -3.587800       2.047500       1.467900    
 H    5.042800       3.816300      0.5521000    
 H    5.977500       2.662800       1.538800    
 H    6.017600       2.546600     -0.2455000    
 H   -5.968700       2.666000       1.544300    
 H   -5.032000       3.819000      0.5590000    
 H   -6.011500       2.553800     -0.2402000    


%chk=000004990-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004990

0 1
O 3.626345 1.147769 -0.212930
O -3.633332 1.155970 -0.202405
O 4.392810 -0.927644 -1.066914
O -4.383697 -0.922958 -1.061962
N -0.003577 1.050814 -0.870917
N 5.606374 0.319217 0.518598
N -5.603475 0.306645 0.532262
C 1.170522 0.862099 -0.200372
C -1.176533 0.870600 -0.196054
C 2.415488 1.054938 -1.049394
C -2.422894 1.075119 -1.040549
C 1.218746 0.500788 1.165910
C -1.222554 0.509905 1.170414
C -0.001289 0.324050 1.855678
C 4.546220 0.071575 -0.320795
C -4.543744 0.071816 -0.311384
C 6.744320 -0.597208 0.625760
C -6.733205 -0.619999 0.638618
H 2.530591 0.212456 -1.757485
H 2.342703 1.997948 -1.615714
H -2.537421 0.243083 -1.760813
H -2.351945 2.026598 -1.592798
H 2.183616 0.375129 1.662862
H -2.186568 0.391578 1.670788
H -0.000337 0.045261 2.915017
H 5.592516 1.194268 1.042933
H -5.596031 1.179794 1.059884
H 7.681860 -0.117736 0.287660
H 6.877133 -0.951448 1.664535
H 6.541171 -1.465709 -0.020424
H -6.859871 -0.980064 1.676156
H -7.675817 -0.147069 0.305443
H -6.524525 -1.483786 -0.012109


