%chk=000102638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102638

0 1
 O   0.7221000      -2.092700      -2.318700    
 N   -2.748300      0.5639000      0.1484000    
 N    2.423600      -2.756500     -0.9439000    
 C   0.5281000      -1.525100      6.2399998E-02
 C  -0.7969000     -0.8224000     -0.3965000    
 C   -1.535100     -4.0600002E-02  0.6979000    
 C   -3.661300     -0.4755000     -0.3473000    
 C   -3.403100       1.409800       1.156200    
 C   -4.914200      0.1422000     -0.9702000    
 C   -4.647500       2.089100      0.5823000    
 C   0.2045000      -2.693500       1.052800    
 C   -5.624100       1.066800      1.2200000E-02
 C    1.478800     -0.4556000      0.6526000    
 C    1.212200      -2.144300      -1.190900    
 C    1.862100      0.6282000     -0.1078000    
 C  -0.7665000      -3.749200      0.5275000    
 C    1.886400     -0.6776000       1.944500    
 C    2.733400       1.570100      0.4894000    
 C    2.743200      0.2486000       2.531800    
 C    1.430400      0.8330000      -1.428400    
 C    3.164700       1.365700       1.810200    
 C    3.147300       2.689000     -0.2517000    
 C    1.851700       1.950300      -2.149900    
 C    2.708500       2.876500      -1.562800    
 H   -1.424400      -1.638800     -0.7636000    
 H  -0.7448000     -0.1840000      -1.274200    
 H   -1.777000     -0.6934000       1.544600    
 H  -0.8871000      0.7585000       1.073900    
 H   -3.947800      -1.166100      0.4566000    
 H   -3.222600      -1.067100      -1.154000    
 H   -2.712100       2.193200       1.490600    
 H   -3.680600      0.8206000       2.040300    
 H    1.120800      -3.228900       1.333200    
 H  -0.2371000      -2.308400       1.980200    
 H   -5.599600     -0.6511000      -1.289800    
 H   -4.638300      0.7079000      -1.869300    
 H   -4.351300       2.791500     -0.2073000    
 H   -5.142100       2.676800       1.363800    
 H   -6.455900       1.577400     -0.4851000    
 H   -6.051600      0.4734000      0.8297000    
 H   -1.785800      -3.361200      0.4465000    
 H  -0.8047000      -4.591700       1.226900    
 H  -0.4588000      -4.142800     -0.4453000    
 H    1.610500      -1.517400       2.566100    
 H    3.086000      0.1027000       3.552200    
 H   0.8617000      0.1534000      -2.032900    
 H    2.947800      -3.190000      -1.696700    
 H    2.845500      -2.790300     -2.1900000E-02
 H    3.834600       2.076600       2.289300    
 H    3.817800       3.425200      0.1868000    
 H    1.530500       2.087200      -3.178700    
 H    3.040500       3.743100      -2.126900    


%chk=000102638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102638

0 1
O 0.554011 -2.644697 -2.200285
N -2.862653 0.354601 0.323464
N 2.533469 -2.559009 -1.009317
C 0.507740 -1.588662 0.063516
C -0.877317 -1.012836 -0.386691
C -1.775689 -0.548329 0.779471
C -3.845585 -0.324754 -0.560497
C -3.536837 1.014415 1.471168
C -4.892365 0.670292 -1.100697
C -4.570840 2.053277 0.991612
C 0.295636 -2.749012 1.108907
C -5.611976 1.395881 0.058008
C 1.406903 -0.456088 0.630464
C 1.188335 -2.282581 -1.163460
C 1.898064 0.620540 -0.222602
C -0.535215 -3.946502 0.601535
C 1.733428 -0.416294 1.995951
C 2.680229 1.693365 0.369996
C 2.507758 0.637648 2.571263
C 1.663964 0.683800 -1.641131
C 2.969472 1.680033 1.773766
C 3.168528 2.762647 -0.452986
C 2.156526 1.734708 -2.417724
C 2.912768 2.791004 -1.823349
H -1.371206 -1.784811 -1.001138
H -0.724355 -0.138477 -1.042182
H -2.194821 -1.434974 1.325536
H -1.162562 0.020911 1.505406
H -4.373526 -1.150766 -0.008368
H -3.304361 -0.787895 -1.403779
H -2.761811 1.506720 2.088860
H -4.055818 0.261029 2.125376
H 1.286180 -3.116672 1.442327
H -0.205382 -2.331644 2.002234
H -5.619543 0.127865 -1.735519
H -4.377521 1.413834 -1.739362
H -4.038785 2.855955 0.445165
H -5.065039 2.512903 1.869499
H -6.317214 2.153303 -0.333891
H -6.212145 0.661596 0.635463
H -1.559834 -3.643865 0.321568
H -0.616689 -4.708405 1.398503
H -0.078811 -4.424712 -0.282309
H 1.386283 -1.208621 2.663373
H 2.727361 0.617600 3.644337
H 1.098853 -0.106152 -2.141523
H 3.021607 -3.039288 -1.764777
H 3.065490 -2.183030 -0.224934
H 3.558763 2.499307 2.202524
H 3.752320 3.561169 0.020835
H 1.959119 1.748289 -3.495154
H 3.289188 3.611885 -2.443352


