%chk=000029210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029210

0 1
 O   0.7079000      0.2759000     -0.1161000    
 O   -2.829300      -1.767700     -0.1845000    
 O  -0.2866000      -1.546500      -1.110700    
 N    4.369700      2.2600001E-02  0.2186000    
 N   -5.165400       2.418900      0.1731000    
 C    3.035200      0.6114000      0.3229000    
 C    5.368200      0.9112000      0.8121000    
 C    4.698500     -0.2545000      -1.179100    
 C    1.987600     -0.3277000     -0.2535000    
 C    5.042300       1.210100       2.265600    
 C    6.057300     -0.9230000      -1.301500    
 C   -1.619900      0.2929000     -0.3870000    
 C  -0.3470000     -0.4444000     -0.5881000    
 C   -2.795600     -0.4052000     -0.1964000    
 C   -1.581400       1.673700     -0.3983000    
 C   -3.981100      0.3053000     -9.2000002E-03
 C   -3.966800       1.700100     -1.6600000E-02
 C   -2.767000       2.384400     -0.2113000    
 C   -3.297600      -2.393500       1.008200    
 C   -2.629100      -3.744000       1.151600    
 H    2.977100       1.587100     -0.1782000    
 H    2.743200      0.7820000       1.364900    
 H    5.463000       1.852100      0.2555000    
 H    6.352700      0.4323000      0.8224000    
 H    4.670300      0.6511000      -1.797900    
 H    4.005400     -0.9782000      -1.615600    
 H    2.127400     -0.4988000      -1.323900    
 H    1.997800      -1.288400      0.2756000    
 H    4.222600       1.927200       2.373100    
 H    4.798600      0.3002000       2.824800    
 H    5.914800       1.664000       2.749500    
 H    6.883700     -0.2231000      -1.144600    
 H    6.162700      -1.761000     -0.6037000    
 H    6.179200      -1.325200      -2.313800    
 H  -0.6649000       2.232600     -0.5623000    
 H   -4.919600     -0.2252000      0.1343000    
 H   -2.743600       3.471100     -0.2223000    
 H   -4.383400      -2.521600      0.9405000    
 H   -3.067400      -1.782200       1.889800    
 H   -1.541100      -3.631200       1.204800    
 H   -2.841300      -4.374000      0.2814000    
 H   -2.975200      -4.258400       2.052500    
 H   -6.035900       1.923700      0.3139000    
 H   -5.155500       3.430200      0.1671000    


%chk=000029210-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029210

0 1
O 0.884642 0.417815 0.233238
O -2.697449 -1.905528 0.454495
O 0.044555 -1.733476 0.540239
N 4.614358 0.442295 -0.079933
N -5.191925 2.297244 0.136050
C 3.221350 0.955141 -0.067119
C 5.616588 1.434389 0.388997
C 4.979229 -0.197559 -1.373338
C 2.246957 -0.165109 0.319232
C 5.586741 1.639093 1.915799
C 6.075841 -1.269668 -1.225471
C -1.491136 0.182983 0.307360
C -0.184330 -0.510169 0.377049
C -2.745512 -0.517939 0.355413
C -1.542361 1.601333 0.195365
C -3.967680 0.191810 0.297100
C -3.983559 1.609109 0.189688
C -2.745294 2.313979 0.137810
C -3.965279 -2.662558 0.500865
C -3.578934 -4.135301 0.607510
H 2.916546 1.385882 -1.050349
H 3.136378 1.767550 0.675950
H 5.490846 2.420128 -0.128131
H 6.617278 1.059641 0.106348
H 5.293775 0.566298 -2.129615
H 4.070134 -0.679092 -1.779094
H 2.315953 -1.035453 -0.358208
H 2.435889 -0.518874 1.348153
H 4.609777 2.024169 2.260675
H 5.773464 0.680171 2.429656
H 6.361126 2.366294 2.224716
H 7.018910 -0.844039 -0.837045
H 5.744134 -2.055401 -0.524933
H 6.296812 -1.734895 -2.204499
H -0.590566 2.136360 0.156946
H -4.919646 -0.346317 0.333002
H -2.738672 3.406673 0.055014
H -4.550464 -2.463112 -0.421057
H -4.560443 -2.335857 1.378992
H -2.978285 -4.311157 1.515425
H -2.976676 -4.440674 -0.264369
H -4.486287 -4.765287 0.652389
H -6.079677 1.805225 0.176373
H -5.206609 3.310182 0.060911


