%chk=000163032.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163032

1 1
 O    1.477500      -2.014200     -0.7544000    
 O    4.157500      -2.553400     -0.5054000    
 O   -5.841800     -0.8949000     -2.3100000E-02
 N   1.0000000E-03   2.063100     -0.4162000    
 C   0.3491000      0.5507000     -0.2301000    
 C   0.7890000       2.903800      0.5922000    
 C    1.840600      0.2820000     -0.1297000    
 C    2.293600       2.719400      0.4301000    
 C  -0.3575000     -5.1199999E-02  0.9968000    
 C    2.742000       1.295800      0.2356000    
 C   0.3266000       2.490100      -1.858400    
 C   -1.494000       2.341100     -0.2177000    
 C    2.327600      -1.012600     -0.3784000    
 C   -1.814500     -0.2751000      0.7257000    
 C    4.109600      0.9970000      0.3420000    
 C    3.687300      -1.298100     -0.2627000    
 C    4.578300     -0.2935000      9.9900000E-02
 C   -2.729700     -0.2009000       1.770400    
 C   -2.239900     -0.5556000     -0.5686000    
 C   -4.085500     -0.4096000       1.518200    
 C   -3.595800     -0.7643000     -0.8209000    
 C   -4.518800     -0.6912000      0.2224000    
 C    4.214200      -3.449800      0.6024000    
 C   -6.216200      -1.178500      -1.370300    
 H   6.6000000E-02  0.1221000      -1.189700    
 H   0.4662000       2.605800       1.595200    
 H   0.5118000       3.954500      0.4461000    
 H    2.785000       3.137100       1.317700    
 H    2.642900       3.307500     -0.4280000    
 H  -0.2188000      0.5801000       1.881900    
 H   6.1799999E-02  -1.028300       1.268100    
 H  -0.3434000       1.952100      -2.536300    
 H    1.364100       2.241500      -2.091600    
 H   0.1657000       3.569100      -1.941200    
 H   -1.777700       2.182400      0.8220000    
 H   -2.078600       1.818500     -0.9718000    
 H   -1.637600       3.412900     -0.4071000    
 H    4.820200       1.776500      0.6069000    
 H    5.640600     -0.5040000      0.1875000    
 H   -2.403600      1.6500000E-02   2.783800    
 H   -1.585000     -0.6984000      -1.417300    
 H   0.5560000      -1.723100     -0.7926000    
 H   -4.799700     -0.3517000       2.335000    
 H   -3.863300     -0.9934000      -1.846900    
 H    3.216300      -3.605700       1.024400    
 H    4.891700      -3.065600       1.371600    
 H    4.597400      -4.410200      0.2469000    
 H   -5.986700     -0.3402000      -2.036900    
 H   -7.303200      -1.308700      -1.383200    
 H   -5.777400      -2.119200      -1.720100    


%chk=000163032-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163032

1 1
O 1.118249 -1.872100 -0.774709
O 3.609204 -2.766442 -0.518656
O -6.188083 -0.853030 0.292191
N 0.109384 2.244172 -0.460434
C 0.257559 0.704159 -0.206178
C 0.893278 3.019488 0.619062
C 1.738444 0.361912 -0.080375
C 2.400716 2.750338 0.546754
C -0.560052 0.168593 1.014377
C 2.739359 1.279598 0.342913
C 0.650671 2.564558 -1.853332
C -1.347959 2.692173 -0.417929
C 2.103595 -0.972542 -0.353670
C -2.044535 -0.091207 0.778575
C 4.070811 0.832434 0.495052
C 3.446030 -1.412662 -0.201455
C 4.434516 -0.508113 0.231898
C -3.030682 0.466356 1.635468
C -2.472989 -0.949373 -0.263758
C -4.397349 0.195868 1.449538
C -3.842110 -1.230045 -0.470886
C -4.812584 -0.651415 0.388615
C 4.953472 -3.354931 -0.399590
C -6.685348 -1.759499 -0.752292
H -0.150667 0.232011 -1.119213
H 0.475351 2.697715 1.586579
H 0.663135 4.089213 0.477171
H 2.847714 3.122258 1.487508
H 2.855449 3.357312 -0.260669
H -0.406263 0.811494 1.902259
H -0.069791 -0.791332 1.261249
H -0.033316 2.130886 -2.598770
H 1.650249 2.125940 -1.972597
H 0.693896 3.657869 -1.978855
H -1.731202 2.619395 0.607506
H -1.949552 2.039830 -1.067226
H -1.396448 3.736053 -0.767166
H 4.841961 1.539130 0.820436
H 5.471952 -0.827932 0.362433
H -2.727316 1.103619 2.476944
H -1.729677 -1.437921 -0.906786
H 1.542035 -2.760019 -0.927690
H -5.159982 0.613688 2.113196
H -4.137242 -1.905399 -1.279179
H 5.661155 -2.848579 -1.081057
H 4.835475 -4.406439 -0.694961
H 5.312819 -3.294370 0.643882
H -6.432681 -1.383511 -1.762147
H -7.776457 -1.769602 -0.622618
H -6.283294 -2.781400 -0.617208


