%chk=000029521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029521

0 1
 O   -3.062300      0.2622000     -0.3296000    
 O    1.902800       2.225100     -0.5000000    
 O   -4.391600     -0.9095000       1.152600    
 O    1.534800       4.075400      0.8333000    
 N   0.5362000     -9.8800004E-02  0.3173000    
 C  -0.6621000      0.3488000     -0.3643000    
 C    1.173800      0.7817000       1.276000    
 C    1.067300      -1.379900      6.1000001E-02
 C   -1.893300     -0.2126000      0.3265000    
 C    2.353400       1.487400      0.6291000    
 C   0.4390000      -2.225500     -0.8535000    
 C    2.220900      -1.801600      0.7223000    
 C   0.9642000      -3.492800      -1.106400    
 C    2.745900      -3.069000      0.4692000    
 C    2.117500      -3.914500     -0.4451000    
 C   -4.251900     -0.1668000      0.1903000    
 C    1.521200       3.514900     -0.2542000    
 C   -5.389500      0.4100000     -0.5967000    
 C    1.073600       4.165400      -1.528000    
 H  -0.7317000       1.444500     -0.3338000    
 H  -0.6548000      0.1312000      -1.439100    
 H   0.4482000       1.537600       1.604100    
 H    1.463400      0.2641000       2.197200    
 H   -1.912500      0.1171000       1.373100    
 H   -1.899300      -1.307600      0.3185000    
 H    3.107200      0.7836000      0.2644000    
 H    2.863500       2.132300       1.354600    
 H  -0.4568000      -1.957700      -1.402400    
 H    2.755800      -1.196300       1.445300    
 H   0.4761000      -4.151700      -1.818700    
 H    3.643700      -3.398600      0.9841000    
 H    2.526400      -4.901200     -0.6420000    
 H   -6.336400      6.1299998E-02 -0.1747000    
 H   -5.363600       1.501100     -0.5398000    
 H   -5.327600      7.6800004E-02  -1.635700    
 H   0.7637000       5.193700      -1.321000    
 H    1.899800       4.187200      -2.243000    
 H   0.2205000       3.621400      -1.941200    


%chk=000029521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029521

0 1
O -3.094534 0.238141 -0.387393
O 1.866944 2.426157 -0.592011
O -4.514295 -0.605094 1.256349
O 1.462595 4.063400 1.022690
N 0.561054 -0.231002 0.290397
C -0.676969 0.194932 -0.380704
C 1.234354 0.746937 1.155308
C 1.108449 -1.513084 0.073664
C -1.927900 -0.245319 0.402745
C 2.383507 1.521229 0.475953
C 0.432586 -2.483330 -0.732443
C 2.359050 -1.896903 0.653956
C 0.985216 -3.762099 -0.943681
C 2.893627 -3.183809 0.440054
C 2.219128 -4.132157 -0.361329
C -4.359400 -0.013688 0.165737
C 1.440391 3.696408 -0.174333
C -5.447134 0.528483 -0.736004
C 0.978998 4.512065 -1.361437
H -0.676807 1.294075 -0.471678
H -0.721121 -0.201088 -1.411158
H 0.492007 1.476845 1.523703
H 1.642200 0.245918 2.054861
H -1.960399 0.203914 1.412076
H -1.989492 -1.342403 0.512032
H 3.069224 0.845981 -0.058081
H 2.927853 2.126463 1.223933
H -0.531607 -2.250129 -1.193598
H 2.926385 -1.196678 1.273907
H 0.437202 -4.478613 -1.566855
H 3.853483 -3.441662 0.902979
H 2.640880 -5.128597 -0.526688
H -6.431164 0.328135 -0.288814
H -5.316387 1.615064 -0.879145
H -5.386628 0.056352 -1.731835
H 0.623572 5.494976 -1.020770
H 1.810309 4.643798 -2.075543
H 0.170324 3.985081 -1.897143


