%chk=000159167.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159167

0 1
 O    1.305900      -1.589300      0.1881000    
 O    3.976300      -2.248000      0.5958000    
 O   0.7351000     -0.6747000       2.644700    
 O   -4.598500       1.123200      0.8419000    
 N    3.345800      0.9832000      -1.099000    
 N   -3.916500     -0.1568000      -1.016900    
 C    3.599600      -1.407500     -0.4987000    
 C    3.746500      4.9899999E-02 -5.5000000E-02
 C    3.441400       2.359500     -0.6320000    
 C    2.178100      -1.770100     -0.9233000    
 C    3.063200       3.307800      -1.765200    
 C    2.541300       2.570000      0.5824000    
 C   1.5600000E-02  -1.229000     -9.4899997E-02
 C  -0.7168000     -0.4535000      0.7989000    
 C  -0.5530000      -1.649900      -1.293600    
 C   -2.029500     -9.5700003E-02  0.4915000    
 C   -2.603900     -0.5151000     -0.7084000    
 C   -1.865700      -1.292000      -1.601000    
 C  -0.1351000     -4.3000001E-03   2.056200    
 C  -0.5856000       1.309400       2.683300    
 C   -4.806000      0.6110000     -0.2533000    
 C   -6.138400      0.7721000     -0.9413000    
 H    4.284300      -1.619000      -1.328700    
 H    3.154500      0.1600000      0.8591000    
 H    4.790100      0.2283000      0.2358000    
 H    4.477100       2.585400     -0.3472000    
 H    3.932700      0.8508000      -1.922100    
 H    2.145200      -2.828900      -1.206500    
 H    1.901300      -1.155000      -1.788000    
 H    2.030600       3.146600      -2.095500    
 H    3.153900       4.351300      -1.444600    
 H    3.720800       3.170400      -2.630800    
 H    2.946900       2.118700       1.493000    
 H    1.532200       2.178500      0.4119000    
 H    2.438700       3.640400      0.7970000    
 H    4.897700      -2.036400      0.8237000    
 H  -2.8999999E-02  -2.284200      -2.002100    
 H   -2.571400      0.4880000       1.220300    
 H   -2.303500      -1.631700      -2.536400    
 H   -4.262200     -0.5014000      -1.910100    
 H   -1.435500       1.128100       3.345600    
 H  -0.8494000       2.039200       1.913000    
 H   0.2435000       1.729900       3.260500    
 H   -6.581600     -0.2103000      -1.126700    
 H   -6.815000       1.352000     -0.3077000    
 H   -6.002500       1.297300      -1.890900    


%chk=000159167-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159167

0 1
O 0.995253 0.006244 -0.257624
O 2.756299 -1.712670 1.015754
O 0.635323 -0.412220 2.424079
O -5.365709 -0.215696 1.468224
N 4.519380 0.925653 -1.034351
N -4.605691 -0.551985 -0.726977
C 3.168054 -0.991865 -0.179599
C 3.906535 0.324023 0.173583
C 4.854657 2.376431 -0.954837
C 1.967856 -0.732512 -1.107482
C 5.854661 2.714787 -2.079362
C 3.576452 3.234680 -1.080954
C -0.362181 -0.231697 -0.378334
C -1.163451 -0.133057 0.805717
C -0.982268 -0.477477 -1.629145
C -2.576427 -0.210256 0.689171
C -3.192657 -0.444594 -0.562615
C -2.379103 -0.591012 -1.718071
C -0.551293 -0.035226 2.174029
C -1.414822 0.490490 3.316565
C -5.603316 -0.440216 0.243014
C -7.026972 -0.611575 -0.281152
H 3.868441 -1.669501 -0.707381
H 3.172376 1.032576 0.595635
H 4.639508 0.091672 0.978895
H 5.339535 2.618908 0.024259
H 5.340391 0.381676 -1.337108
H 1.515583 -1.686220 -1.437248
H 2.268672 -0.101213 -1.963389
H 5.419029 2.457639 -3.062941
H 6.097593 3.792104 -2.076787
H 6.801678 2.153293 -1.960592
H 2.827786 2.967338 -0.314284
H 3.115766 3.079308 -2.073606
H 3.816531 4.307687 -0.961937
H 2.017350 -1.206280 1.474632
H -0.370187 -0.548893 -2.533343
H -3.217115 -0.120536 1.567339
H -2.842428 -0.778061 -2.695532
H -4.922154 -0.734665 -1.681469
H -2.183708 -0.253081 3.600138
H -1.944391 1.418029 3.037587
H -0.770645 0.671047 4.190314
H -7.088960 -0.785233 -1.369693
H -7.501052 -1.460492 0.241081
H -7.610979 0.290846 -0.031404


