%chk=000178742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178742

1 1
 O   0.3526000       1.746400      0.1311000    
 O    2.859600      0.7596000     -0.4947000    
 N   -2.712600      0.1038000     -0.2776000    
 C   -1.780800      3.7099998E-02  0.9238000    
 C   -2.876300      -1.288300     -0.8707000    
 C   -4.070800      0.6306000      0.1627000    
 C   -2.122600       1.035600      -1.326300    
 C  -0.4130000     -0.4742000      0.5793000    
 C   0.5946000      0.4062000      0.1979000    
 C  -0.1678000      -1.842000      0.6477000    
 C    1.860600     -8.6499996E-02 -0.1186000    
 C    1.098200      -2.334600      0.3311000    
 C    2.112400      -1.457000     -5.2000001E-02
 C    1.141900       2.588800      0.9675000    
 C    4.123800      0.1745000     -0.8013000    
 H   -2.256900     -0.6101000       1.672400    
 H   -1.735100       1.040200       1.366700    
 H   -3.176700      -1.978300     -7.6700002E-02
 H   -3.662900      -1.238500      -1.630900    
 H   -1.947200      -1.602200      -1.352400    
 H   -3.933600       1.629300      0.5881000    
 H   -4.727800      0.6761000     -0.7109000    
 H   -4.480300     -5.2900001E-02  0.9123000    
 H   -1.944400       2.013500     -0.8714000    
 H   -1.218800      0.5995000      -1.757000    
 H   -2.863700       1.144000      -2.125700    
 H  -0.9423000      -2.538800      0.9557000    
 H    1.293900      -3.401600      0.3858000    
 H    3.070000      -1.910700     -0.2826000    
 H    1.489900       2.070100       1.867700    
 H   0.5182000       3.431600       1.280000    
 H    1.990600       2.987000      0.4046000    
 H    4.060000     -0.4939000      -1.666700    
 H    4.564200     -0.3160000      7.3500000E-02
 H    4.797600      0.9915000      -1.079900    


%chk=000178742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178742

1 1
O 0.269381 1.683018 0.308026
O 2.886168 0.820637 -0.367480
N -2.774828 0.074530 -0.296840
C -1.779377 -0.097198 0.920905
C -3.175145 -1.289589 -0.844226
C -4.012816 0.801550 0.217889
C -2.133443 0.895840 -1.413430
C -0.412540 -0.608430 0.552909
C 0.630247 0.327017 0.291803
C -0.133872 -2.002146 0.538457
C 1.939527 -0.149746 -0.042055
C 1.162252 -2.462746 0.245416
C 2.192420 -1.542220 -0.049606
C 1.174294 2.677918 0.951291
C 4.245116 0.375439 -0.726991
H -2.301877 -0.783859 1.608410
H -1.711884 0.907987 1.366980
H -3.711051 -1.851224 -0.063200
H -3.830379 -1.145503 -1.717359
H -2.266440 -1.832350 -1.141147
H -3.728738 1.820163 0.522212
H -4.766716 0.849079 -0.582992
H -4.421587 0.254455 1.081504
H -1.712550 1.816080 -0.985175
H -1.319017 0.310353 -1.863198
H -2.903578 1.119000 -2.168364
H -0.923514 -2.717907 0.794497
H 1.380756 -3.534506 0.248771
H 3.191026 -1.916174 -0.291766
H 1.435947 2.347716 1.972375
H 0.581218 3.603704 0.989949
H 2.083657 2.812956 0.350221
H 4.222867 -0.267273 -1.626213
H 4.723407 -0.157970 0.114921
H 4.795570 1.301197 -0.943997


