%chk=000018455.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018455

0 1
 O  -0.5901000     -0.5906000       1.041800    
 O    1.712500     -0.1762000     -0.2091000    
 O   0.3494000     -0.5731000      -2.018200    
 N    5.237100      -1.090600     -0.7941000    
 C  -0.5896000      0.3995000      2.1900000E-02
 C   -1.369000      -2.820000       1.630900    
 C  -0.8877000      -1.877800      0.5194000    
 C   -1.758400      -4.219200       1.116500    
 C   -1.962800      0.4676000     -0.6507000    
 C  -0.2077000       1.755000      0.6211000    
 C  -0.2925000      -2.960800       2.713200    
 C   0.5111000     -0.1842000     -0.8676000    
 C   -2.826600      -4.192900      3.2800000E-02
 C   -2.062700      0.8111000      -1.999000    
 C  -0.5594000       2.060200       1.936100    
 C   -3.114400      0.1857000      8.4299996E-02
 C   0.4926000       2.685100     -0.1473000    
 C    2.831900     -0.6650000     -0.9548000    
 C   -3.314000      0.8729000      -2.612200    
 C  -0.2112000       3.295500       2.482400    
 C   -4.365700      0.2475000     -0.5290000    
 C   0.8408000       3.920300      0.3993000    
 C    4.073300     -0.5859000     -8.0700003E-02
 C   -4.465400      0.5910000      -1.877300    
 C   0.4889000       4.225400       1.714200    
 C    5.756100     -8.0300003E-02  -1.719400    
 C    6.283600      -1.500200      0.1456000    
 H   -2.248100      -2.365900       2.106700    
 H   -1.626600      -1.871300     -0.2829000    
 H   2.5699999E-02  -2.324800      0.1053000    
 H  -0.8732000      -4.737900      0.7285000    
 H   -2.131300      -4.816700       1.957600    
 H   0.6317000      -3.381400       2.302500    
 H  -0.6353000      -3.619800       3.518100    
 H  -5.3300001E-02  -1.991800       3.163300    
 H   -3.182100      -5.209900     -0.1634000    
 H   -2.437500      -3.800600     -0.9111000    
 H   -3.686000      -3.588000      0.3383000    
 H   -1.198300       1.093600      -2.591200    
 H   -1.111600       1.356000       2.552000    
 H   -3.068900     -6.3199997E-02   1.140800    
 H   0.7680000       2.475400      -1.177200    
 H    2.937500     -5.0700001E-02  -1.855200    
 H    2.639600      -1.704100      -1.249200    
 H    3.872100      -1.196600      0.8104000    
 H    4.221000      0.4345000      0.2976000    
 H   -3.393300       1.153600      -3.658400    
 H  -0.4869000       3.534100       3.505500    
 H   -5.262800      3.3399999E-02  4.4500001E-02
 H    1.383600       4.645700     -0.1997000    
 H   -5.440000      0.6432000      -2.353600    
 H   0.7591000       5.187600       2.139200    
 H    6.055800      0.8394000      -1.203600    
 H    6.630800     -0.4690000      -2.254000    
 H    5.023300      0.1777000      -2.489900    
 H    7.148500      -1.903600     -0.3928000    
 H    6.623500     -0.6678000      0.7725000    
 H    5.922900      -2.302000      0.7996000    


%chk=000018455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018455

0 1
O -0.890662 -0.922244 0.947257
O 1.870328 -0.008245 -0.299560
O 0.617006 -1.354516 -1.710301
N 5.574879 -0.469892 -0.604943
C -0.553487 0.122645 -0.067365
C -1.581977 -3.144556 1.637342
C -1.502450 -2.177090 0.442825
C -2.415760 -4.402668 1.264830
C -1.759210 0.413021 -0.979696
C -0.176885 1.380202 0.738564
C -0.166979 -3.540068 2.119714
C 0.673573 -0.471600 -0.817730
C -3.927307 -4.146328 1.067856
C -1.714078 0.387722 -2.393667
C 0.064690 1.313941 2.130205
C -2.977143 0.763065 -0.337788
C -0.048694 2.623517 0.071741
C 3.112381 -0.651088 -0.826900
C -2.864747 0.713775 -3.150739
C 0.426516 2.478024 2.845535
C -4.125526 1.076556 -1.091206
C 0.321385 3.783652 0.784530
C 4.277395 0.092535 -0.163347
C -4.072888 1.056519 -2.506149
C 0.560938 3.715965 2.177143
C 5.966304 -0.036018 -1.962544
C 6.656597 -0.245052 0.375750
H -2.103106 -2.614634 2.462014
H -2.505499 -1.948527 0.036372
H -0.879053 -2.606538 -0.366512
H -1.989691 -4.861893 0.348466
H -2.281322 -5.149054 2.073101
H 0.357575 -4.132361 1.344415
H -0.218890 -4.154814 3.037448
H 0.439642 -2.643157 2.333653
H -4.466119 -5.092286 0.875110
H -4.127655 -3.472746 0.214905
H -4.368935 -3.684597 1.971255
H -0.795997 0.097413 -2.910879
H -0.039975 0.353675 2.640578
H -3.010494 0.787783 0.757442
H -0.248889 2.688458 -1.004178
H 3.110489 -0.568048 -1.928126
H 3.110855 -1.720598 -0.555053
H 4.189521 -0.035507 0.930314
H 4.185655 1.187011 -0.372007
H -2.814717 0.691250 -4.245249
H 0.606037 2.416612 3.925199
H -5.057285 1.342540 -0.579453
H 0.416136 4.739415 0.256565
H -4.962606 1.305168 -3.095655
H 0.843022 4.617414 2.733151
H 6.145678 1.067183 -2.033906
H 6.894425 -0.554724 -2.261292
H 5.185956 -0.302808 -2.695667
H 7.572037 -0.764874 0.040164
H 6.909813 0.835652 0.521758
H 6.367188 -0.665082 1.355011


