%chk=000064360.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064360

0 1
 O   -2.273100       2.283200       1.448500    
 O   -3.575500      -2.831800      -2.132800    
 O   -1.665100      -2.055200      -1.176800    
 N   -2.214100      0.3556000      0.1003000    
 C    2.041700       1.052500     -0.1341000    
 C  -0.3717000       1.870900      8.2999997E-02
 C    1.504100       3.543400      0.1468000    
 C   0.9363000       2.388300      -2.010700    
 C   0.6220000      0.7426000      0.4268000    
 C    2.491300       2.412800      0.4834000    
 C    1.929200       1.262700      -1.673200    
 C   0.1190000       3.188300      0.7057000    
 C  -0.4482000       2.029400      -1.447200    
 C    1.417300       3.701000      -1.377500    
 C    2.995700     -0.1132000      0.1710000    
 C   -1.730900       1.543800      0.6334000    
 C    2.717600      -1.389300     -0.3191000    
 C    4.140200      0.1049000      0.9382000    
 C    3.583800      -2.447000     -4.2100001E-02
 C    5.006200     -0.9525000       1.215300    
 C    4.728300      -2.228500      0.7251000    
 C   -3.451800     -0.2721000      0.3772000    
 C    3.264900      -3.805000     -0.5757000    
 C    5.670200      -3.345500       1.035200    
 C   -3.787600      -1.465000     -0.2436000    
 C   -4.312100      0.3365000       1.278500    
 C   -5.013700      -2.064700      4.3800000E-02
 C   -5.538300     -0.2633000       1.565900    
 C   -2.896800      -2.119100      -1.194100    
 C   -5.889000      -1.463800      0.9486000    
 H    1.852100       4.481200      0.5943000    
 H   0.8720000       2.507700      -3.098200    
 H   0.2754000     -0.2191000      3.4400001E-02
 H   0.6729000      0.6088000       1.517200    
 H    3.483600       2.697000      0.1080000    
 H    2.567600       2.333500       1.576200    
 H    1.596400      0.3453000      -2.174800    
 H    2.915700       1.500900      -2.093200    
 H   0.1762000       3.106000       1.799300    
 H  -0.5811000       4.006800      0.4906000    
 H   -1.171200       2.812800      -1.710900    
 H  -0.7969000       1.117000      -1.945000    
 H   0.7278000       4.515400      -1.631900    
 H    2.398300       3.976300      -1.783500    
 H    1.830100      -1.571000     -0.9189000    
 H    4.405800       1.074000       1.344600    
 H   -1.637300     -0.1352000     -0.5742000    
 H    5.893500     -0.7657000       1.814700    
 H    3.136100      -4.520400      0.2429000    
 H    2.334700      -3.806400      -1.154600    
 H    4.060000      -4.153700      -1.242700    
 H    5.161500      -4.133300       1.600200    
 H    6.084800      -3.767300      0.1139000    
 H    6.515600      -3.006000       1.643800    
 H   -4.120600       1.262400       1.799000    
 H   -5.311800      -3.006600     -0.4093000    
 H   -6.220700      0.2030000       2.270800    
 H   -6.842500      -1.932100       1.175000    
 H   -2.969300      -3.269300      -2.768000    


%chk=000064360-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064360

0 1
O -2.361717 2.305387 1.463321
O -3.435227 -3.300334 -1.735151
O -1.812597 -1.672428 -1.535350
N -2.305058 0.375890 0.124408
C 2.087289 1.115155 -0.149368
C -0.363018 1.908757 0.060421
C 1.533260 3.593340 0.148756
C 0.982111 2.457272 -2.035037
C 0.659488 0.773453 0.397786
C 2.537589 2.461745 0.488350
C 1.985425 1.323797 -1.697128
C 0.130191 3.234421 0.698131
C -0.423795 2.083642 -1.494575
C 1.457070 3.783290 -1.387730
C 3.046073 -0.048876 0.170098
C -1.761512 1.568291 0.625632
C 2.779283 -1.349052 -0.339429
C 4.204842 0.107493 0.968451
C 3.612199 -2.460541 -0.076765
C 5.048974 -0.993122 1.240299
C 4.776439 -2.283957 0.732764
C -3.542403 -0.226266 0.415444
C 3.267029 -3.824871 -0.649152
C 5.699823 -3.448251 1.045295
C -3.884310 -1.469800 -0.237086
C -4.474511 0.343039 1.331106
C -5.133363 -2.092190 0.044269
C -5.699233 -0.298838 1.586436
C -2.958714 -2.105998 -1.188854
C -6.040469 -1.518355 0.947549
H 1.876156 4.533712 0.623464
H 0.923004 2.576148 -3.135170
H 0.328472 -0.189944 -0.034747
H 0.714552 0.632288 1.495240
H 3.545481 2.734771 0.116226
H 2.609742 2.353590 1.589314
H 1.665473 0.382273 -2.184342
H 2.989550 1.568684 -2.096331
H 0.156827 3.127249 1.798653
H -0.591716 4.043246 0.479811
H -1.154462 2.876881 -1.748480
H -0.768391 1.150378 -1.983000
H 0.754260 4.603792 -1.635174
H 2.450135 4.066872 -1.789923
H 1.890288 -1.512054 -0.962687
H 4.461388 1.084573 1.387663
H -1.737813 -0.159431 -0.556713
H 5.940195 -0.844920 1.863106
H 3.122844 -4.577706 0.150119
H 2.339318 -3.784568 -1.245078
H 4.073260 -4.209405 -1.303840
H 5.165531 -4.264752 1.568866
H 6.128626 -3.889863 0.124639
H 6.538423 -3.128557 1.687161
H -4.211368 1.280905 1.822095
H -5.367021 -3.031907 -0.462818
H -6.398370 0.159588 2.294984
H -6.997501 -2.006604 1.155494
H -2.749439 -3.655432 -2.361922


