%chk=000051288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051288

0 1
 O  -0.6184000     -0.4505000      0.4903000    
 O   0.7509000       1.473200       1.613500    
 O  -0.5004000       1.232500      -1.075900    
 O   -6.714000      0.7304000      0.1729000    
 N    1.286800      -3.367000     -0.3841000    
 C   0.7949000     -0.6028000      0.4540000    
 C    1.258200     -0.9592000     -0.9594000    
 C    1.200600      -1.697400       1.441900    
 C   0.8178000      -2.371700      -1.357800    
 C   0.7622000      -3.084100      0.9590000    
 C    1.371500      0.7202000      0.8665000    
 C   0.9076000      -4.714900     -0.8075000    
 C    2.715400       1.115100      0.3580000    
 C   -1.135700      0.5064000     -0.3272000    
 C    2.795200       1.814200     -0.8260000    
 C    3.828400      0.7669000       1.090600    
 C   -2.613400      0.5658000     -0.1952000    
 C    4.053100       2.184100      -1.302000    
 C    5.086200       1.137000      0.6145000    
 C    5.198500       1.845600     -0.5818000    
 C   -3.253600       1.770900     -0.3995000    
 C   -3.301000     -0.5863000      0.1279000    
 C   -4.641800       1.826500     -0.2752000    
 C   -4.689200     -0.5308000      0.2521000    
 C   -5.359700      0.6757000      5.0400000E-02
 H   0.9360000     -0.2815000      -1.751600    
 H    2.355100     -0.9722000      -1.012600    
 H    2.287000      -1.703600       1.591300    
 H   0.7458000      -1.509600       2.422900    
 H  -0.2746000      -2.406400      -1.462000    
 H    1.243300      -2.595000      -2.344100    
 H    1.143500      -3.827200       1.670100    
 H  -0.3335000      -3.154300      0.9744000    
 H    1.339700      -4.946300      -1.787400    
 H  -0.1796000      -4.838300     -0.8718000    
 H    1.299100      -5.462300     -0.1085000    
 H    1.912800       2.093300      -1.391000    
 H    3.748100      0.2220000       2.026000    
 H    4.140400       2.737900      -2.232300    
 H    5.978200      0.8749000       1.176100    
 H    6.177800       2.134500     -0.9519000    
 H   -2.705200       2.674100     -0.6500000    
 H   -2.803800      -1.540300      0.2762000    
 H   -5.158400       2.769400     -0.4323000    
 H   -5.237200      -1.434900      0.5035000    
 H   -7.045600     -0.1548000      0.4021000    


%chk=000051288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051288

0 1
O -0.557364 -0.651403 0.398153
O 1.193496 0.792032 2.146290
O -0.327473 1.387680 -0.702320
O -6.743732 1.002688 0.076529
N 1.129183 -3.644384 -0.527070
C 0.943098 -0.823021 0.355863
C 1.367235 -1.219432 -1.073837
C 1.209906 -1.996296 1.333457
C 0.768946 -2.578665 -1.491305
C 0.617694 -3.322908 0.826453
C 1.604451 0.445215 1.003030
C 0.697804 -4.978975 -0.984160
C 2.820084 1.102905 0.412732
C -1.067716 0.513590 -0.173042
C 2.886048 1.577216 -0.923791
C 3.922732 1.322229 1.283683
C -2.545468 0.589974 -0.082206
C 4.045660 2.238546 -1.381570
C 5.087706 1.963933 0.816034
C 5.153310 2.422366 -0.520977
C -3.200976 1.721135 -0.641781
C -3.316408 -0.422580 0.546033
C -4.597687 1.842211 -0.580931
C -4.717235 -0.310182 0.612992
C -5.355737 0.823663 0.047486
H 1.059147 -0.447791 -1.797714
H 2.469757 -1.293211 -1.098912
H 2.305364 -2.111207 1.438883
H 0.791795 -1.728434 2.319133
H -0.343086 -2.481184 -1.594189
H 1.169016 -2.855749 -2.484528
H 0.910923 -4.136789 1.515683
H -0.500515 -3.257547 0.837326
H 1.150428 -5.199786 -1.967523
H -0.413639 -5.075486 -1.085676
H 1.042921 -5.746731 -0.268475
H 2.012117 1.484935 -1.572163
H 3.847851 0.988437 2.324363
H 4.080582 2.621510 -2.407496
H 5.936945 2.115198 1.491424
H 6.053999 2.929891 -0.884431
H -2.592301 2.496991 -1.116980
H -2.808111 -1.285906 0.983239
H -5.118853 2.705672 -1.003310
H -5.309951 -1.093776 1.102280
H -7.192949 0.252625 0.540422


