%chk=000097693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097693

0 1
 O    4.155500       2.051700      0.2619000    
 O    4.591300      -1.819700      0.7590000    
 O    3.418900     -0.4089000       2.092500    
 O   0.9005000      -1.705300     -0.7020000    
 N    1.902500      0.2952000     -0.1241000    
 N  -0.3801000      0.1555000     -6.2799998E-02
 N   -2.907400       1.785800      0.5589000    
 N   -1.941700      -1.590200     -0.5346000    
 N   -4.977000      0.9733000      0.4011000    
 N   -4.349700      -1.261400     -0.3219000    
 C    3.272000     -0.1442000     -0.3238000    
 C    4.133400       1.051600     -0.7555000    
 C    3.654300       1.705400      -2.044600    
 C    3.750100     -0.7750000      0.9718000    
 C   0.8033000     -0.5373000     -0.3331000    
 C   -2.766800      0.4903000      0.1498000    
 C   -1.707300     -0.3254000     -0.1522000    
 C   -4.065400      7.3000002E-03  5.9099998E-02
 C   -4.248600       2.028900      0.6959000    
 C   -3.238000      -1.977700     -0.5956000    
 H    3.270600     -0.9139000      -1.104900    
 H    5.168200      0.7171000     -0.8967000    
 H    1.744400       1.215700      0.2749000    
 H    3.603000      0.9804000      -2.862400    
 H    4.339500       2.508900      -2.336600    
 H    2.670900       2.171400      -1.921100    
 H  -0.2824000       1.123500      0.2324000    
 H    4.574900       1.666400       1.049600    
 H   -2.161500       2.447100      0.7303000    
 H   -4.624500       2.991400       1.012400    
 H   -3.404900      -3.003400     -0.9066000    
 H    4.890800      -2.225100       1.600600    


%chk=000097693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097693

0 1
O 4.144961 1.781893 0.769126
O 3.970829 -2.426546 -0.215063
O 4.260227 -0.964633 1.562208
O 0.726896 -1.241101 -1.280332
N 1.959956 0.311579 -0.041184
N -0.375274 0.405603 0.027522
N -3.183090 1.874276 -0.294515
N -1.733875 -1.505143 0.499250
N -5.167585 0.802661 0.122317
N -4.187592 -1.426933 0.613192
C 3.265501 -0.118443 -0.540012
C 4.229156 1.113741 -0.545096
C 3.855670 2.150936 -1.604001
C 3.866083 -1.188803 0.387028
C 0.775282 -0.273252 -0.482432
C -2.843644 0.558945 0.045664
C -1.645525 -0.187789 0.176813
C -4.097583 -0.101572 0.294466
C -4.582583 1.955017 -0.230023
C -2.981099 -2.053610 0.676478
H 3.139772 -0.552334 -1.544638
H 5.263732 0.748637 -0.717530
H 1.996339 0.998832 0.718770
H 3.979073 1.735314 -2.619507
H 4.508263 3.033518 -1.499813
H 2.808422 2.476001 -1.480350
H -0.266013 1.376325 0.327810
H 4.426029 1.118583 1.461712
H -2.555919 2.617317 -0.599166
H -5.115970 2.877491 -0.451541
H -2.996282 -3.121372 0.911611
H 4.344642 -3.095736 0.422936


