%chk=000107683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107683

0 1
 O    2.952800       1.199200     -0.6883000    
 O   -1.336600     -0.8255000     -0.4545000    
 O   -5.671300      -2.667300     -0.1560000    
 N   -2.479100       1.642200      0.4669000    
 C    5.744100      -1.200200      9.2200004E-02
 C    5.029700      0.1288000     -0.1433000    
 C    7.204600     -0.9841000      0.4873000    
 C    3.563400     -7.5999998E-02 -0.4962000    
 C    1.624400       1.298300     -0.4092000    
 C  -0.5671000      0.2994000     -0.2787000    
 C    7.910300      -2.303900      0.7556000    
 C   -1.113000       1.508000      0.1695000    
 C   0.7942000      0.1905000     -0.5679000    
 C    1.094000       2.508100      3.6300000E-02
 C   -2.688000     -0.7165000     -0.1666000    
 C   -3.221100      0.5896000      0.3074000    
 C  -0.2685000       2.612200      0.3242000    
 C   -3.494700      -1.771600     -0.3150000    
 C   -4.670800      0.6605000      0.6030000    
 C   -4.939400      -1.693400     -1.8600000E-02
 C   -5.467800     -0.3985000      0.4518000    
 H    5.694200      -1.811800     -0.8169000    
 H    5.230300      -1.757600      0.8850000    
 H    5.523600      0.6887000     -0.9472000    
 H    5.101300      0.7616000      0.7503000    
 H    7.731000     -0.4491000     -0.3117000    
 H    7.259300     -0.3597000       1.386700    
 H    3.092400     -0.6273000      0.3281000    
 H    3.476100     -0.6569000      -1.421500    
 H    7.427500      -2.847800       1.573700    
 H    7.900900      -2.941500     -0.1342000    
 H    8.953500      -2.125900       1.035000    
 H    1.166200     -0.7603000     -0.9387000    
 H    1.736800       3.375200      0.1622000    
 H  -0.6671000       3.562600      0.6710000    
 H   -3.111800      -2.726100     -0.6604000    
 H   -5.070400       1.607500      0.9495000    
 H   -6.527600     -0.3353000      0.6713000    


%chk=000107683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107683

0 1
O 2.950096 1.162341 0.168509
O -1.472176 -0.873102 -0.007746
O -5.924143 -2.692880 -0.182468
N -2.640594 1.762814 0.079488
C 5.930815 -1.229715 0.139465
C 5.121392 0.087910 0.166852
C 7.457354 -0.987583 0.175552
C 3.614540 -0.164853 0.130742
C 1.563560 1.213243 0.142805
C -0.661401 0.269879 0.057347
C 8.271906 -2.298480 0.152659
C -1.256439 1.571683 0.100020
C 0.726872 0.071039 0.077950
C 1.003900 2.527589 0.186845
C -2.880108 -0.704982 -0.031064
C -3.416042 0.665980 0.016440
C -0.381846 2.696378 0.165680
C -3.679160 -1.819093 -0.096471
C -4.861868 0.807129 -0.008086
C -5.142416 -1.677700 -0.121900
C -5.682310 -0.294155 -0.073269
H 5.676889 -1.808202 -0.773292
H 5.643854 -1.864833 1.003458
H 5.400099 0.720663 -0.697336
H 5.367043 0.662693 1.080243
H 7.745815 -0.355217 -0.688274
H 7.712019 -0.407536 1.085531
H 3.283805 -0.759354 1.006814
H 3.315933 -0.692609 -0.798023
H 8.025581 -2.935135 1.023254
H 8.059087 -2.883461 -0.761939
H 9.358310 -2.097596 0.178794
H 1.115745 -0.948882 0.043518
H 1.686595 3.379741 0.237003
H -0.837130 3.690291 0.198755
H -3.254661 -2.826172 -0.131118
H -5.251169 1.829472 0.027889
H -6.773445 -0.201204 -0.092524


