%chk=000037733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037733

0 1
 O  -0.4238000      -1.258100      0.4281000    
 O   -2.267300     -0.1712000       2.068700    
 O   0.3617000      0.1274000      -1.775500    
 O   -2.506700       3.534500     -0.6376000    
 O   -2.384300      -1.295700     -0.7878000    
 N   -2.310500       1.734900      0.7817000    
 N  -0.9893000       1.884800      -1.155000    
 C  -0.4747000      0.1566000      0.4867000    
 C   0.6907000      0.6756000       1.334400    
 C   -1.765400      0.5264000       1.188400    
 C  -0.3226000      0.6907000     -0.9226000    
 C    2.014800      0.3477000      0.7035000    
 C   -1.961100       2.468300     -0.3479000    
 C    2.647400     -0.8485000       1.018300    
 C    2.591600       1.244600     -0.1869000    
 C   -1.450200      -1.870700     -0.2462000    
 C   -1.247700      -3.367400     -0.2170000    
 C    3.876600      -1.152700      0.4333000    
 C    3.820600      0.9404000     -0.7721000    
 C    4.463100     -0.2582000     -0.4620000    
 C   -2.363200      -4.109300     -0.9325000    
 H   0.6572000      0.2337000       2.340000    
 H   0.6179000       1.761100       1.486500    
 H   -3.102800       2.080000       1.316400    
 H  -0.8089000       2.340700      -2.045100    
 H    2.200700      -1.553000       1.714400    
 H    2.109900       2.188000     -0.4283000    
 H  -0.2911000      -3.595900     -0.6986000    
 H   -1.209500      -3.690700      0.8285000    
 H    4.376900      -2.085900      0.6747000    
 H    4.278700       1.638000      -1.467000    
 H    5.420400     -0.4948000     -0.9172000    
 H   -3.333500      -3.901100     -0.4697000    
 H   -2.189500      -5.189100     -0.8931000    
 H   -2.422800      -3.810000      -1.984100    


%chk=000037733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037733

0 1
O -0.439672 -1.314355 0.458103
O -2.210740 0.029139 2.226709
O 0.218282 0.088187 -1.913627
O -2.646816 3.563226 -0.771664
O -2.436583 -1.318261 -0.730143
N -2.351316 1.815279 0.751271
N -1.085196 1.889248 -1.248659
C -0.515808 0.154683 0.442345
C 0.719300 0.653715 1.279107
C -1.784450 0.613947 1.203626
C -0.438155 0.659468 -1.015797
C 2.080743 0.354741 0.675052
C -2.063813 2.501272 -0.444874
C 2.653890 -0.938448 0.777767
C 2.812622 1.378463 0.022772
C -1.505106 -1.965278 -0.204021
C -1.324004 -3.464863 -0.160436
C 3.929401 -1.201294 0.233455
C 4.089484 1.118358 -0.522306
C 4.651226 -0.174391 -0.418964
C -2.465986 -4.224380 -0.858288
H 0.606303 0.169536 2.266748
H 0.599902 1.743299 1.427659
H -3.123376 2.201596 1.304350
H -0.948411 2.312416 -2.172636
H 2.092605 -1.735804 1.276501
H 2.384688 2.386387 -0.055336
H -0.344789 -3.694613 -0.623219
H -1.232210 -3.761494 0.902143
H 4.362032 -2.204452 0.318633
H 4.643894 1.919916 -1.022848
H 5.642042 -0.379329 -0.839562
H -3.436970 -4.007935 -0.381440
H -2.285696 -5.312038 -0.805160
H -2.544014 -3.934842 -1.919858


