%chk=000044796.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044796

1 1
 O   0.1042000     -0.1308000       2.611500    
 N   -3.408500     -0.5456000     -0.9659000    
 C   -2.304500     -8.2099997E-02 -7.7200003E-02
 C  -0.9418000     -0.5979000     -0.5965000    
 C   0.3625000     -0.1337000      0.1755000    
 C   -2.602000     -0.6236000       1.319000    
 C   -4.757900     -1.6300000E-02 -0.4683000    
 C   -3.192000     -4.5400001E-02  -2.398000    
 C   -3.470800      -2.076500     -0.9931000    
 C    1.670100     -0.6292000     -0.5097000    
 C   0.4376000       1.422900      0.2302000    
 C   0.2282000     -0.8016000       1.582900    
 C   0.1586000      -2.328600       1.656500    
 C    2.741400     -0.8942000      0.2907000    
 C  -7.2999999E-02   2.115200     -0.8261000    
 C    1.660000     -0.7668000      -1.865900    
 C    1.008100       1.987500       1.330800    
 C   4.1800000E-02  -2.835200       3.085000    
 C    3.912800      -1.338200     -0.3227000    
 C  -6.0999999E-03   3.507700     -0.7772000    
 C    2.831400      -1.210900      -2.479300    
 C    1.074700       3.379900       1.379700    
 C    3.957700      -1.496600      -1.707700    
 C   0.5676000       4.140000      0.3257000    
 H   -2.349300       1.011200     -5.9999999E-02
 H  -0.9236000      -1.688900     -0.6496000    
 H  -0.8625000     -0.2939000      -1.635800    
 H   -2.397200      -1.682400       1.461400    
 H   -2.062400     -4.3800000E-02   2.066600    
 H   -3.631400     -0.4673000       1.648600    
 H   -5.486100     -0.1148000      -1.280400    
 H   -5.119400     -0.6177000      0.3690000    
 H   -4.647800       1.038400     -0.2004000    
 H   -2.969000       1.024600      -2.364200    
 H   -2.392900     -0.6142000      -2.879300    
 H   -4.112800     -0.2162000      -2.965400    
 H   -4.319900      -2.348600      -1.631100    
 H   -2.569200      -2.492400      -1.444900    
 H   -3.657300      -2.478800      3.8000001E-03
 H  -0.6757000      -2.729200       1.083000    
 H    1.071700      -2.750300       1.228300    
 H    2.743900     -0.7571000       1.366000    
 H  -0.4920000       1.675300      -1.720000    
 H   0.8322000     -0.5304000      -2.518300    
 H    1.512200       1.451400       2.123500    
 H  -0.8770000      -2.473000       3.557800    
 H   0.8888000      -2.499400       3.692500    
 H   2.4300000E-02  -3.929500       3.100800    
 H    4.791900      -1.554900      0.2772000    
 H  -0.3917000       4.099900      -1.602200    
 H    2.870000      -1.327000      -3.558600    
 H    1.543900       3.872600       2.226500    
 H    4.870700      -1.839400      -2.185700    
 H   0.6267000       5.223900      0.3602000    


%chk=000044796-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044796

1 1
O -0.536040 -2.249018 1.877945
N -3.418989 0.158501 -0.965925
C -2.501515 -0.644700 0.073383
C -1.175184 -1.142996 -0.582668
C 0.192355 -0.718070 0.097417
C -3.301368 -1.790867 0.716678
C -4.692919 0.625460 -0.260299
C -2.695591 1.407693 -1.463823
C -3.813668 -0.699327 -2.163179
C 1.386939 -1.272395 -0.742515
C 0.225109 0.818566 0.254117
C 0.342566 -1.432119 1.493600
C 1.599450 -1.181524 2.324020
C 2.655021 -0.629279 -0.715591
C 0.596512 1.653235 -0.833596
C 1.278758 -2.493630 -1.461414
C -0.220744 1.439835 1.451560
C 1.387916 -1.419914 3.832964
C 3.762534 -1.169573 -1.401278
C 0.528338 3.059669 -0.727959
C 2.387003 -3.035403 -2.150599
C -0.289451 2.848287 1.562528
C 3.634865 -2.375803 -2.127113
C 0.081997 3.665402 0.470839
H -2.284385 0.131733 0.830044
H -1.224125 -2.243430 -0.590943
H -1.093075 -0.820429 -1.636389
H -3.640166 -2.541195 -0.019863
H -2.603766 -2.303728 1.398140
H -4.162742 -1.448376 1.312059
H -5.229781 1.318316 -0.926826
H -5.333785 -0.236315 -0.034311
H -4.417185 1.143292 0.670937
H -2.435517 2.043413 -0.604138
H -1.775501 1.125478 -1.988770
H -3.364668 1.950429 -2.150287
H -4.457218 -0.101180 -2.827256
H -2.912626 -1.011545 -2.709034
H -4.363807 -1.584445 -1.816033
H 2.369086 -1.884923 1.943804
H 1.997526 -0.170985 2.125757
H 2.784521 0.303869 -0.158346
H 0.961430 1.202114 -1.763315
H 0.339269 -3.053675 -1.486007
H -0.493889 0.827689 2.321051
H 0.972467 -2.423947 4.017650
H 0.689171 -0.681365 4.266485
H 2.347974 -1.333479 4.369558
H 4.725776 -0.649821 -1.364735
H 0.835210 3.683165 -1.574725
H 2.274812 -3.977628 -2.697430
H -0.617187 3.303945 2.503080
H 4.494545 -2.797026 -2.658247
H 0.042943 4.756122 0.558200


