%chk=000005117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005117

0 1
 O   2.3000001E-03   2.010100      0.4925000    
 O   0.2336000      -1.629600       1.053300    
 O    4.871300      0.5326000      -1.017200    
 N   -2.429300      0.7490000     -0.2312000    
 C   -1.181200     -2.8500000E-02 -0.1677000    
 C   1.7999999E-02  0.9056000     -0.4195000    
 C   -2.411400       1.911200      0.6604000    
 C  -0.9271000     -0.7917000       1.142600    
 C    1.312100      0.1691000     -0.1984000    
 C   -3.628800     -5.6499999E-02 -3.3300001E-02
 C   -1.193500       2.774500      0.3560000    
 C    1.346000      -1.031800      0.5217000    
 C   -3.637700      -1.239600     -0.9980000    
 C    2.510100      0.6918000     -0.7068000    
 C    2.553400      -1.712200      0.7016000    
 C    3.716000      1.6899999E-02 -0.5154000    
 C   -4.890600      -2.084600     -0.8266000    
 C    3.736900      -1.186200      0.1858000    
 H   -1.143700     -0.7456000     -0.9978000    
 H  -1.2600000E-02   1.287400      -1.449600    
 H   -2.388900       1.593800       1.710000    
 H   -3.313600       2.516800      0.5157000    
 H  -0.8049000     -0.1226000       2.003100    
 H   -1.758500      -1.463200       1.376000    
 H   -3.716800     -0.4082000       1.002000    
 H   -4.514300      0.5604000     -0.2327000    
 H   -1.242000       3.203000     -0.6525000    
 H   -1.140000       3.606300       1.065500    
 H   -3.579600     -0.8881000      -2.035200    
 H   -2.797900      -1.920200     -0.8292000    
 H    2.494300       1.629400      -1.258500    
 H    2.579400      -2.651600       1.247800    
 H   -4.956500      -2.488400      0.1889000    
 H   -5.791500      -1.493800      -1.020900    
 H   -4.880300      -2.926200      -1.526600    
 H    4.672000      -1.719200      0.3349000    
 H    4.672100       1.368400      -1.473200    


%chk=000005117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005117

0 1
O 0.015424 2.060607 0.524072
O 0.345839 -1.650358 1.173858
O 5.007586 0.547051 -1.105387
N -2.417391 0.659401 -0.142534
C -1.131463 -0.077997 -0.060531
C 0.049872 0.870745 -0.371638
C -2.451311 1.891624 0.681924
C -0.843341 -0.773382 1.295409
C 1.378438 0.174077 -0.166957
C -3.645420 -0.163972 -0.007079
C -1.254308 2.786799 0.331093
C 1.465118 -1.032341 0.575578
C -3.747500 -1.308549 -1.035895
C 2.560300 0.712613 -0.731099
C 2.705379 -1.696959 0.726316
C 3.798152 0.057208 -0.568598
C -5.131378 -1.992360 -0.987309
C 3.870656 -1.157209 0.155723
H -1.133418 -0.863332 -0.840297
H -0.054328 1.230893 -1.418527
H -2.446803 1.682622 1.779612
H -3.389645 2.434104 0.454983
H -0.652330 -0.024453 2.088621
H -1.655630 -1.451874 1.599739
H -3.767083 -0.588351 1.022956
H -4.503791 0.520095 -0.161946
H -1.336882 3.123348 -0.725015
H -1.195892 3.661981 0.999309
H -3.561417 -0.893290 -2.045084
H -2.965020 -2.070045 -0.850071
H 2.494711 1.653608 -1.293749
H 2.737819 -2.628585 1.298789
H -5.341046 -2.400376 0.019757
H -5.938996 -1.278747 -1.236535
H -5.186871 -2.829215 -1.706329
H 4.839044 -1.653641 0.265528
H 4.859725 1.406759 -1.571187


