%chk=000008693.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008693

0 1
 O   -3.277200      0.4289000     -4.1000000E-03
 O    3.261700      0.4241000      2.9000000E-03
 O   -3.535300      -1.858700     -2.2000000E-03
 O    3.532900      -1.861900      6.8999999E-03
 N   0.7210000      0.2877000     -6.9999998E-04
 C   -4.997600       2.093000     -3.5000001E-03
 C    4.991300       2.091400      2.7999999E-03
 C   -4.687200      0.6041000     -2.7000001E-03
 C    4.682300      0.6020000      4.6999999E-03
 C   -1.349800     -0.9055000     -3.5000001E-03
 C   -6.492300       2.358400      1.2900000E-02
 C    1.346400     -0.9109000      7.9999998E-04
 C    6.485700       2.358100     -1.0600000E-02
 C  -0.7031000      -2.117800     -1.9000000E-03
 C   -2.833800     -0.8590000     -3.5999999E-03
 C   0.6874000      -2.129700      3.9999999E-04
 C    2.798200     -0.8639000      4.3000001E-03
 C  -0.6307000      0.2595000     -2.9000000E-03
 H   -4.545300       2.562500     -0.8853000    
 H   -4.526100       2.567600      0.8654000    
 H    4.521200       2.563200     -0.8683000    
 H    4.536000       2.562300      0.8823000    
 H   -5.112200      0.1327000      0.8913000    
 H   -5.115000      0.1311000     -0.8946000    
 H    5.103400      0.1292000      0.8995000    
 H    5.105000      0.1265000     -0.8879000    
 H   -6.957000       1.931000      0.9071000    
 H   -6.686300       3.435500      1.1500000E-02
 H   -6.977400       1.924800     -0.8675000    
 H    6.969000       1.927000      0.8719000    
 H    6.678800       3.435500     -1.1100000E-02
 H    6.952900       1.929000     -0.9026000    
 H   -1.242600      -3.059700     -2.0000001E-03
 H    1.219700      -3.074900      2.0000001E-03
 H   -1.078600       1.246900     -3.7000000E-03


%chk=000008693-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008693

0 1
O -3.438611 0.476510 0.002865
O 3.426171 0.514928 -0.003831
O -3.595850 -1.851074 0.006072
O 3.551147 -1.810492 -0.003885
N 0.704923 0.458911 -0.001917
C -5.291957 2.049898 0.001243
C 5.303212 2.052867 -0.001619
C -4.931641 0.564605 0.005151
C 4.921296 0.573195 -0.004452
C -1.405291 -0.783376 0.001516
C -6.823994 2.252963 0.003917
C 1.366406 -0.739837 -0.002098
C 6.837540 2.235646 -0.002610
C -0.703037 -2.014687 0.001386
C -2.898550 -0.806059 0.003528
C 0.703571 -1.994719 -0.000492
C 2.873414 -0.749062 -0.004139
C -0.654466 0.423620 -0.000193
H -4.846031 2.528894 -0.890242
H -4.842193 2.534534 0.887739
H 4.858408 2.541674 -0.887954
H 4.860008 2.537850 0.887613
H -5.309749 0.041716 0.903192
H -5.312910 0.036209 -0.888307
H 5.293297 0.039112 0.889948
H 5.292289 0.042836 -0.901491
H -7.289326 1.802571 0.900432
H -7.073942 3.328307 0.000311
H -7.293355 1.795645 -0.886979
H 7.300147 1.773088 0.889336
H 7.101907 3.307691 0.000113
H 7.298412 1.778052 -0.898004
H -1.269141 -2.951344 0.002731
H 1.301637 -2.909747 -0.000765
H -1.168343 1.389074 -0.000113


