%chk=000156688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156688

0 1
 O   -3.719800       1.317100       1.315700    
 O   -1.974400       2.783500     -0.4071000    
 O   0.1940000       2.592600     -0.6912000    
 O   0.9766000      -3.593100     -0.2839000    
 O    2.250100      -1.834300     -0.6071000    
 N    1.363800      0.4622000     -0.6764000    
 N  -0.9355000       2.090600     -0.4931000    
 N    1.128100      -2.355400     -0.4076000    
 C    2.246100      0.8966000      0.3882000    
 C    3.704600      0.7857000     -7.9899997E-02
 C    2.013000      3.1300001E-02   1.635900    
 C   0.1259000     -0.1128000     -0.4555000    
 C   -1.042700      0.6747000     -0.3597000    
 C   -2.290600      9.2100002E-02 -0.1380000    
 C  -1.4900000E-02  -1.511400     -0.3186000    
 C   -2.400600      -1.292200     -6.3999998E-03
 C    3.992200       1.624100      -1.319300    
 C    2.892200      0.4426000       2.810300    
 C   -1.262900      -2.093900     -9.6799999E-02
 C   -3.519900      0.9414000     -3.9500002E-02
 C   -3.725000      -1.941600      0.2300000    
 H    2.046300       1.940800      0.6524000    
 H    4.370400       1.155100      0.7084000    
 H    4.005300     -0.2475000     -0.2738000    
 H    2.211000      -1.029300       1.495000    
 H   0.9745000      0.1278000       1.976000    
 H    1.394200       1.040900      -1.511800    
 H    3.488600       1.223700      -2.204200    
 H    3.675500       2.662200      -1.176400    
 H    5.067100       1.625600      -1.528200    
 H    3.941300      0.1798000       2.646200    
 H    2.823800       1.518500       2.999800    
 H    2.568600     -7.8000002E-02   3.718100    
 H   -1.373500      -3.170800      7.4000000E-03
 H   -3.677400       1.750900     -0.7549000    
 H   -4.398000      0.3369000     -0.2933000    
 H   -3.613500      -3.010700      0.4453000    
 H   -4.233400      -1.507000       1.096700    
 H   -4.360700      -1.860700     -0.6577000    
 H   -3.322500      0.6503000       1.900600    


%chk=000156688-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156688

0 1
O -4.482477 1.283084 0.732065
O -2.150545 3.004835 -0.040217
O -0.161403 2.829813 -1.125207
O 1.079178 -3.272294 0.688890
O 2.048691 -1.924538 -0.872401
N 1.258640 0.851842 -0.198281
N -1.189845 2.285654 -0.509553
N 1.110564 -2.192043 -0.025384
C 2.544488 0.750266 0.574396
C 3.764972 0.536117 -0.362826
C 2.518796 -0.206946 1.794855
C 0.085472 0.145220 -0.165975
C -1.203765 0.831421 -0.328638
C -2.465551 0.168296 -0.249312
C -0.035218 -1.270918 0.070477
C -2.497521 -1.224657 0.053216
C 3.906850 1.629267 -1.442828
C 3.445896 0.298709 2.924258
C -1.277800 -1.907353 0.225671
C -3.805061 0.862128 -0.507594
C -3.793173 -2.020363 0.114073
H 2.648681 1.777151 0.993302
H 4.668598 0.532420 0.277932
H 3.692207 -0.457472 -0.833534
H 2.837773 -1.220953 1.498855
H 1.489568 -0.285766 2.195889
H 1.130966 1.770434 -0.660061
H 3.055385 1.612590 -2.147213
H 3.963277 2.640402 -0.994550
H 4.826239 1.474863 -2.035097
H 4.490169 0.403482 2.577622
H 3.113898 1.282236 3.305926
H 3.447150 -0.410439 3.771100
H -1.270341 -2.984402 0.418052
H -3.696197 1.789884 -1.081264
H -4.451573 0.167031 -1.079902
H -3.606569 -3.024089 0.529974
H -4.566143 -1.547506 0.747200
H -4.239898 -2.156944 -0.889152
H -4.646479 0.487837 1.300837


