%chk=000021682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021682

0 1
 O   -1.217000     -0.2659000      0.1950000    
 O   0.8178000     -0.6334000      -1.501900    
 O   0.1542000      -1.570500       1.501400    
 N   -4.848300     -0.6368000      0.8708000    
 C   -3.598400     -0.1105000      0.3049000    
 C   -3.751900     -0.4128000      -1.187100    
 C   -5.255300     -0.4857000      -1.430400    
 C   -5.891200     -0.2295000     -7.4100003E-02
 C   -2.349600     -0.7601000      0.8876000    
 C   -5.124800     -0.1467000       2.215700    
 C    1.142800     -0.1119000     -0.1972000    
 C   4.4999998E-03 -0.7545000      0.5996000    
 C    2.538500     -0.5765000      0.2260000    
 C    1.059400       1.416000     -0.2185000    
 C    3.490300     -0.7737000     -0.7477000    
 C   0.6715000       2.070700      0.9279000    
 C    2.787200     -0.7794000       1.563900    
 C    1.375000       2.076600      -1.383500    
 C   0.8353000      -2.046900      -1.495000    
 C    4.761900      -1.197400     -0.3616000    
 C   0.5953000       3.463300      0.9081000    
 C    4.058900      -1.203000       1.949700    
 C    1.298800       3.469200      -1.403100    
 C   0.4898000      -2.551100      -2.879900    
 C    5.046200      -1.412100      0.9870000    
 C   0.9090000       4.162500     -0.2574000    
 H   -3.537600      0.9809000      0.4246000    
 H   -3.289900      0.3694000      -1.799500    
 H   -3.290800      -1.368100      -1.466600    
 H   -5.522100      -1.482000      -1.802100    
 H   -5.582700      0.2484000      -2.173500    
 H   -6.811600     -0.8081000      5.4200001E-02
 H   -6.133100      0.8367000      2.4400000E-02
 H   -2.395800      -1.851300      0.7817000    
 H   -2.253300     -0.5147000       1.951500    
 H   -4.371000     -0.5036000       2.924600    
 H   -5.152500      0.9478000       2.263900    
 H   -6.089300     -0.5288000       2.568300    
 H    3.302600     -0.5896000      -1.800800    
 H   0.4352000       1.547100       1.848700    
 H    2.068200     -0.5669000       2.346700    
 H    1.689400       1.557800      -2.283300    
 H    1.795600      -2.489200      -1.222000    
 H   6.9600001E-02  -2.484900     -0.8472000    
 H    5.532900      -1.353900      -1.110500    
 H   0.2946000       4.003600       1.800900    
 H    4.285300      -1.355500       3.000900    
 H    1.545200       4.014000      -2.309800    
 H    1.217300      -2.188200      -3.613500    
 H  -0.4915000      -2.179100      -3.193100    
 H   0.4772000      -3.644600      -2.909600    
 H    6.037800      -1.737100       1.287800    
 H   0.8509000       5.246900     -0.2724000    


%chk=000021682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021682

0 1
O -1.272100 -0.327510 0.140682
O 1.223850 -1.096635 -1.799748
O -0.234056 -2.358493 0.557534
N -4.855793 -0.298534 1.229472
C -3.578613 0.244928 0.672227
C -3.962573 0.870710 -0.700000
C -5.358318 0.269044 -1.016145
C -5.989873 0.152669 0.385837
C -2.584164 -0.919448 0.558832
C -5.042173 -0.164564 2.679800
C 1.096282 -0.494835 -0.436129
C -0.173148 -1.164351 0.169290
C 2.370333 -0.744476 0.392882
C 0.888128 1.013167 -0.674252
C 3.595308 -0.283981 -0.160242
C 1.040976 1.920863 0.402448
C 2.386636 -1.377367 1.658434
C 0.513656 1.506443 -1.945951
C 1.636428 -2.521097 -1.876215
C 4.809324 -0.453646 0.534323
C 0.819017 3.301552 0.212508
C 3.604770 -1.537949 2.361174
C 0.299366 2.890246 -2.137909
C 1.725382 -2.853168 -3.365720
C 4.818381 -1.080300 1.804196
C 0.446634 3.793253 -1.060512
H -3.130937 1.017084 1.336849
H -4.038758 1.968800 -0.602040
H -3.202893 0.661397 -1.471648
H -5.261216 -0.734672 -1.468420
H -5.951985 0.900453 -1.698993
H -6.821501 -0.574842 0.430025
H -6.387980 1.147537 0.711826
H -2.900779 -1.651609 -0.205039
H -2.451489 -1.447606 1.519815
H -4.180928 -0.598398 3.219077
H -5.158252 0.897377 3.014706
H -5.944000 -0.720640 2.994516
H 3.581693 0.208329 -1.139285
H 1.341839 1.550495 1.389219
H 1.461401 -1.765225 2.093048
H 0.403219 0.802631 -2.774327
H 2.615103 -2.648832 -1.374172
H 0.892972 -3.155885 -1.358780
H 5.745186 -0.093753 0.092218
H 0.942254 3.993027 1.053919
H 3.602068 -2.028538 3.341100
H 0.016021 3.262407 -3.129341
H 2.460881 -2.203105 -3.870841
H 0.746120 -2.718130 -3.857365
H 2.039102 -3.905049 -3.497474
H 5.759972 -1.208976 2.349884
H 0.279727 4.866103 -1.210793


