%chk=000047053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047053

1 1
 O    3.387500      0.6262000      0.2531000    
 O    2.770200      -1.533300     -0.3481000    
 N   -3.952900      -1.274800      1.8600000E-02
 N    4.992600      -1.000800      5.1500000E-02
 C   -3.031200     -0.1816000      0.5396000    
 C   -2.983800      0.9932000     -0.4327000    
 C   -3.983300      -2.428300       1.010900    
 C   -5.357800     -0.7149000     -0.1516000    
 C   -3.439500      -1.774200      -1.324200    
 C   -2.040500       2.137200     -3.7999999E-02
 C  -0.5899000       1.732900      3.9700001E-02
 C  -7.6600000E-02   1.266200       1.240200    
 C   0.2066000       1.835600      -1.090700    
 C    1.265700      0.8932000       1.311900    
 C    1.548700       1.462500      -1.018800    
 C    2.078300      0.9914000      0.1824000    
 C    3.644000     -0.7259000     -4.6100002E-02
 C    5.561900      -2.304600     -0.1978000    
 H   -2.046200     -0.6406000      0.6720000    
 H   -3.406600      0.1343000       1.520100    
 H   -2.677600      0.6692000      -1.431900    
 H   -3.975500       1.446400     -0.5324000    
 H   -4.351300      -2.049900       1.969100    
 H   -4.651700      -3.204200      0.6260000    
 H   -2.967100      -2.819600       1.117200    
 H   -5.390000     -3.0400001E-02  -1.002700    
 H   -6.033000      -1.553200     -0.3516000    
 H   -5.651200     -0.2131000      0.7752000    
 H   -3.628000      -1.030600      -2.102100    
 H   -2.372300      -1.997100      -1.233600    
 H   -3.989600      -2.686600      -1.577000    
 H   -2.355600       2.555000      0.9273000    
 H   -2.148900       2.958400     -0.7587000    
 H  -0.6994000       1.188100       2.126700    
 H  -0.1972000       2.199400      -2.031200    
 H    1.672100      0.5277000       2.251100    
 H    2.176200       1.541200      -1.902500    
 H    5.618900     -0.2454000      0.3121000    
 H    6.076500      -2.630900      0.7092000    
 H    6.286400      -2.210500      -1.010300    
 H    4.792200      -3.030800     -0.4692000    


%chk=000047053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047053

1 1
O 2.797089 0.337194 -0.121716
O 1.476017 -1.640206 -0.170769
N -2.931503 -1.255435 0.051505
N 3.830497 -1.680458 -0.284556
C -2.990803 0.140294 0.734762
C -3.268297 1.339747 -0.201025
C -2.787615 -2.308747 1.149730
C -4.211955 -1.522241 -0.731475
C -1.713976 -1.363370 -0.874574
C -2.443010 2.605602 0.223517
C -0.957389 2.285833 0.154441
C -0.229017 1.961587 1.328159
C -0.326730 2.114755 -1.106284
C 1.045909 1.358078 1.246694
C 0.946165 1.515939 -1.203438
C 1.587127 1.087573 -0.023643
C 2.608514 -1.086535 -0.192560
C 4.006615 -3.135550 -0.379388
H -2.007439 0.252719 1.221752
H -3.765576 0.057102 1.517300
H -2.983246 1.104256 -1.243434
H -4.345852 1.582646 -0.209394
H -3.670530 -2.274037 1.806460
H -2.704399 -3.303232 0.685316
H -1.876118 -2.095828 1.728138
H -4.296144 -0.797735 -1.553447
H -4.173866 -2.543023 -1.142202
H -5.075913 -1.422441 -0.056245
H -1.767114 -0.574193 -1.636857
H -0.777242 -1.258411 -0.301757
H -1.737900 -2.351867 -1.359835
H -2.736105 2.921619 1.241655
H -2.718338 3.428231 -0.460946
H -0.670027 2.158026 2.313193
H -0.846392 2.426132 -2.021117
H 1.597050 1.066452 2.145994
H 1.425874 1.347659 -2.172597
H 4.647198 -1.066407 -0.288397
H 4.602669 -3.515582 0.468927
H 4.509579 -3.410141 -1.323409
H 3.013292 -3.609205 -0.355776


