%chk=000162396.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162396

0 1
 O    2.028100      0.7873000      0.8191000    
 O    1.674200      -2.193200     -0.3298000    
 O   0.8846000      0.7051000       2.815200    
 O   0.9064000      -1.975900      -2.489200    
 O   -4.627900       2.958400     -0.8124000    
 O   -3.393900       2.979500      -2.627900    
 O   -5.464500      -1.632100      0.3249000    
 O   -4.569400      -1.848700       2.317700    
 N    5.221000      0.5766000      0.1495000    
 N   -3.534000       2.772000      -1.398300    
 N   -4.464100      -1.769300       1.069700    
 C    4.147100     -0.3870000      0.4849000    
 C    3.593800     -0.8712000     -0.8538000    
 C    3.211000      0.3299000       1.458700    
 C    4.817000     -0.7579000      -1.756100    
 C    5.428200      0.5609000      -1.301700    
 C    4.838300       1.883600      0.6833000    
 C    4.034300       1.524300       1.924900    
 C    3.011600      -2.272700     -0.7944000    
 C   0.9328000      0.9322000       1.616300    
 C   0.7132000      -2.044800      -1.285300    
 C  -0.2320000       1.412300      0.8308000    
 C  -0.6370000      -1.973200     -0.6717000    
 C   -1.458400       1.625600       1.460300    
 C  -9.9900000E-02   1.649300     -0.5375000    
 C   -1.763700      -1.820000      -1.479600    
 C  -0.7785000      -2.058800      0.7133000    
 C   -2.552500       2.076000      0.7217000    
 C   -1.194000       2.099500      -1.276200    
 C   -2.420300       2.312900     -0.6466000    
 C   -3.031800      -1.752100     -0.9027000    
 C   -2.046500      -1.990900       1.290500    
 C   -3.173100      -1.837600      0.4824000    
 H    4.645500      -1.208800       1.016200    
 H    2.841800     -0.1689000      -1.235800    
 H    2.971100     -0.3367000       2.296000    
 H    5.514300      -1.586900      -1.582100    
 H    4.550600     -0.7456000      -2.817400    
 H    6.491400      0.6222000      -1.552400    
 H    4.909700       1.386200      -1.805200    
 H    5.713700       2.493100      0.9258000    
 H    4.199500       2.446500     -8.8000000E-03
 H    4.709800       1.226700       2.736200    
 H    3.423500       2.366700       2.262800    
 H    3.058000      -2.766400      -1.773000    
 H    3.569900      -2.912400     -0.1023000    
 H   -1.582000       1.445000       2.524800    
 H   0.8356000       1.496200      -1.067700    
 H   -1.674200      -1.749500      -2.560400    
 H   7.1300000E-02  -2.179400       1.379000    
 H   -3.492800       2.229400       1.245000    
 H   -1.054900       2.272500      -2.340400    
 H   -3.886700      -1.630600      -1.562800    
 H   -2.118800      -2.059600       2.372900    


%chk=000162396-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162396

0 1
O 1.847100 0.777833 0.542152
O 1.780384 -2.465733 -0.577435
O 0.451079 0.833221 2.413083
O 0.621600 -1.377326 -2.285922
O -4.343250 4.124508 -1.571296
O -3.042031 3.773944 -3.411987
O -5.245801 -2.229818 1.535689
O -4.034147 -3.304950 3.141890
N 5.060110 0.488757 0.364923
N -3.278187 3.678155 -2.146850
N -4.139748 -2.694955 2.009938
C 3.951056 -0.529153 0.416552
C 3.585808 -0.819854 -1.064406
C 2.883256 0.063924 1.365394
C 4.924684 -0.521495 -1.797452
C 5.450080 0.727261 -1.048222
C 4.704501 1.660678 1.204302
C 3.679800 1.084956 2.209481
C 3.058496 -2.231634 -1.323373
C 0.658081 1.091918 1.201655
C 0.627203 -1.954497 -1.169669
C -0.331713 1.759403 0.298984
C -0.585710 -2.175086 -0.322354
C -1.525535 2.255825 0.885397
C -0.113598 1.891363 -1.097032
C -1.831206 -1.705544 -0.815312
C -0.514719 -2.821228 0.939128
C -2.497306 2.888574 0.090144
C -1.080039 2.518606 -1.905350
C -2.255511 3.009799 -1.296397
C -3.002863 -1.872355 -0.055992
C -1.679585 -2.995095 1.709243
C -2.904889 -2.515688 1.197625
H 4.317755 -1.466283 0.890415
H 2.830307 -0.090728 -1.404092
H 2.355754 -0.688514 1.973430
H 5.631535 -1.365181 -1.677267
H 4.785953 -0.337719 -2.876663
H 6.543835 0.847139 -1.155627
H 4.966200 1.649711 -1.452402
H 5.590463 2.082191 1.712781
H 4.238730 2.474164 0.596879
H 4.201376 0.538504 3.016731
H 3.032797 1.845190 2.674230
H 2.869417 -2.396164 -2.399057
H 3.735011 -3.006540 -0.925427
H -1.670937 2.134000 1.963159
H 0.800868 1.492512 -1.541358
H -1.857699 -1.213862 -1.792682
H 0.450508 -3.180852 1.303813
H -3.424144 3.283954 0.513064
H -0.943859 2.630010 -2.983776
H -3.975971 -1.521129 -0.408036
H -1.658898 -3.485018 2.685753


