%chk=000158141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158141

0 1
 O    3.353300      0.8224000      0.2478000    
 O   -2.666400      0.7401000     -0.7019000    
 O   0.7558000      -3.088000     -0.5033000    
 N  -0.3425000      -1.037900     -0.4938000    
 C    4.593000      9.4300002E-02  0.3774000    
 C    2.179100      0.1424000      4.1999999E-03
 C    2.096500      -1.191100     -0.1264000    
 C   0.9808000      0.9848000     -0.1091000    
 C  -0.2646000      0.3847000     -0.3568000    
 C    4.468400      -1.401900      0.2250000    
 C    3.292500      -1.990600     -1.0600000E-02
 C   0.7831000      -1.860300     -0.3907000    
 C    5.534000      0.6426000     -0.7007000    
 C    5.147400      0.4234000       1.767300    
 C   -1.404900       1.202200     -0.4636000    
 C    1.058600       2.383600      2.5900001E-02
 C   -1.617600      -1.702900     -0.7508000    
 C   -1.312200       2.587800     -0.3273000    
 C  -8.0799997E-02   3.178800     -8.2599998E-02
 C   -3.654800       1.021500      0.2856000    
 C   -4.960000      0.4178000     -0.1289000    
 C   -5.673400     -0.5344000      0.5015000    
 C   -6.974200      -1.020500     -8.1699997E-02
 C   -5.290900      -1.198900       1.793600    
 H    5.363400      -2.012200      0.3105000    
 H    3.238000      -3.068200     -0.1147000    
 H    6.531100      0.1925000     -0.6427000    
 H    5.130000      0.4566000      -1.703300    
 H    5.640800       1.729900     -0.6093000    
 H    5.247600       1.506900       1.901000    
 H    4.463600      7.8699999E-02   2.552400    
 H    6.126800     -3.6800001E-02   1.938000    
 H    2.007700       2.879500      0.2163000    
 H   -2.290500      -1.544800      9.6100003E-02
 H   -1.497700      -2.785300     -0.8573000    
 H   -2.042300      -1.342400      -1.692100    
 H   -2.177900       3.234100     -0.4399000    
 H  -2.4999999E-03   4.257300      1.6600000E-02
 H   -3.306900      0.6586000       1.256400    
 H   -3.821700       2.100600      0.3769000    
 H   -5.355300      0.8166000      -1.062600    
 H   -6.919200      -2.094500     -0.2877000    
 H   -7.794500     -0.8424000      0.6215000    
 H   -7.226500     -0.5155000      -1.020200    
 H   -5.223700      -2.282900       1.651100    
 H   -4.330900     -0.8684000       2.193400    
 H   -6.050400     -0.9996000       2.556900    


%chk=000158141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158141

0 1
O 3.376609 0.853194 0.604200
O -2.666808 0.740106 -0.615806
O 0.770773 -3.113268 -0.269104
N -0.277317 -1.003851 -0.370325
C 4.700219 0.116424 0.400066
C 2.198534 0.201682 0.262840
C 2.129190 -1.182282 0.162801
C 1.027845 1.036268 0.099549
C -0.232081 0.395968 -0.203725
C 4.518849 -1.373192 0.661739
C 3.310327 -1.978660 0.486295
C 0.870335 -1.846284 -0.163285
C 5.124758 0.376109 -1.062979
C 5.648870 0.783307 1.407027
C -1.379111 1.258639 -0.320413
C 1.127280 2.447514 0.242917
C -1.505451 -1.726826 -0.796715
C -1.249301 2.654676 -0.186207
C -0.002609 3.260839 0.094356
C -3.645760 0.811387 0.523661
C -5.005104 0.493513 -0.025252
C -5.823257 -0.536282 0.340205
C -7.186936 -0.702708 -0.309708
C -5.494976 -1.582367 1.390592
H 5.412548 -1.938185 0.950022
H 3.169281 -3.057754 0.599572
H 6.101836 -0.100401 -1.263165
H 4.386757 -0.052204 -1.763048
H 5.214126 1.460929 -1.252125
H 5.701872 1.870143 1.223362
H 5.299033 0.615570 2.439248
H 6.664717 0.360896 1.304693
H 2.109928 2.870384 0.466620
H -2.266236 -1.730065 0.001154
H -1.197521 -2.763592 -0.999469
H -1.937760 -1.257650 -1.690197
H -2.148741 3.265127 -0.325000
H 0.073262 4.348447 0.187929
H -3.319940 0.107207 1.313417
H -3.611276 1.839172 0.940684
H -5.347968 1.182715 -0.809482
H -7.259872 -1.684088 -0.818738
H -7.994173 -0.679868 0.448958
H -7.389926 0.086674 -1.053195
H -5.626157 -2.598576 0.970758
H -4.468319 -1.507096 1.783762
H -6.191149 -1.503494 2.248911


