%chk=000146515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146515

0 1
 O   -5.880400       1.797700      -1.234200    
 N    2.261100     -0.6103000     -0.3287000    
 N   -5.046400     -0.3439000      -1.549000    
 N    6.128100      0.6873000      0.4693000    
 C  -0.6621000     -0.2888000     -0.7661000    
 C  -1.7999999E-02  -1.397700      7.3600002E-02
 C   -2.020000     -0.7315000      -1.317000    
 C    1.309300     -0.9701000      0.6946000    
 C   -2.750100      0.3687000      -2.096100    
 C    3.550800     -0.1777000     -6.2500000E-02
 C   -4.133700     -1.8500000E-02  -2.609900    
 C    4.589100      -1.109800      3.2600001E-02
 C    3.802500       1.187400      0.1085000    
 C    5.880200     -0.6264000      0.3037000    
 C    5.124400       1.580900      0.3766000    
 C    4.364800      -2.487500     -0.1350000    
 C    2.778200       2.146100      1.8200001E-02
 C    6.918200      -1.549500      0.3995000    
 C    5.381300       2.938600      0.5479000    
 C    5.419700      -3.389600     -3.4200002E-02
 C    3.061500       3.497300      0.1934000    
 C    6.698900      -2.919300      0.2337000    
 C    4.365900       3.894000      0.4589000    
 C   -5.857700      0.6058000     -0.9384000    
 C   -6.727400      0.1141000      0.1611000    
 C   -7.128900      0.9842000       1.174800    
 C   -7.142900      -1.217300      0.1797000    
 C   -7.945700      0.5229000       2.207200    
 C   -7.959800      -1.678600       1.212000    
 C   -8.361200     -0.8085000       2.225700    
 H  -1.0400000E-02 -1.1900000E-02  -1.602700    
 H  -0.7938000      0.6068000     -0.1469000    
 H  -0.7021000      -1.693300      0.8782000    
 H   0.1383000      -2.283300     -0.5551000    
 H   -1.882700      -1.602800      -1.969100    
 H   -2.648600      -1.058900     -0.4799000    
 H    1.701100      -1.795100       1.300600    
 H    1.141000     -0.1232000       1.370100    
 H   -2.131000      0.6649000      -2.951700    
 H   -2.842200       1.254000      -1.454000    
 H    2.176700      -1.131600      -1.197800    
 H   -4.549300      0.8043000      -3.201700    
 H   -4.063400     -0.8971000      -3.259900    
 H   -5.029500      -1.300600      -1.212600    
 H    3.378700      -2.891900     -0.3478000    
 H    1.748500       1.870800     -0.1943000    
 H    7.929700      -1.205800      0.6087000    
 H    6.395400       3.274700      0.7567000    
 H    5.244200      -4.453100     -0.1645000    
 H    2.269100       4.235900      0.1217000    
 H    7.529200      -3.614700      0.3142000    
 H    4.597900       4.946000      0.5970000    
 H   -6.812200       2.023900       1.180600    
 H   -6.879400      -1.919500     -0.6055000    
 H   -8.257700       1.200000       2.997000    
 H   -8.289600      -2.713400       1.223100    
 H   -8.998400      -1.167300       3.028600    


%chk=000146515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146515

0 1
O -5.711675 1.839614 -1.388260
N 2.380625 -1.144444 0.085661
N -5.010032 -0.372720 -1.490165
N 6.223343 0.813864 0.071823
C -0.617375 -0.328150 -0.271310
C -0.035867 -1.368778 0.709897
C -1.983360 -0.747628 -0.859544
C 1.394630 -1.049677 1.194944
C -2.597945 0.337444 -1.770345
C 3.622503 -0.489209 0.060017
C -3.925123 -0.084271 -2.445952
C 4.827922 -1.238106 -0.198199
C 3.732848 0.933914 0.239155
C 6.100131 -0.523766 -0.201920
C 5.067958 1.521880 0.284616
C 4.847588 -2.659303 -0.422327
C 2.599351 1.817939 0.305880
C 7.309081 -1.256064 -0.477184
C 5.196808 2.935770 0.527181
C 6.037108 -3.337495 -0.683223
C 2.761524 3.187093 0.505396
C 7.282588 -2.625474 -0.720856
C 4.074877 3.749323 0.648882
C -5.850197 0.627501 -1.023823
C -6.930786 0.205947 -0.056833
C -7.517127 1.218148 0.745173
C -7.398246 -1.129502 0.064122
C -8.533361 0.899885 1.669550
C -8.419133 -1.447602 0.986924
C -8.984520 -0.435441 1.796840
H 0.104939 -0.163560 -1.095530
H -0.732845 0.644377 0.251632
H -0.691040 -1.451425 1.600381
H -0.040676 -2.371580 0.230315
H -1.856187 -1.689224 -1.436300
H -2.684794 -0.974833 -0.029944
H 1.675157 -1.761346 2.003317
H 1.440108 -0.041992 1.635823
H -1.876560 0.598473 -2.571479
H -2.778459 1.262531 -1.190433
H 2.391642 -2.078651 -0.333113
H -4.277824 0.734182 -3.097195
H -3.766538 -0.984998 -3.069957
H -5.072811 -1.307639 -1.087636
H 3.920151 -3.244368 -0.377793
H 1.596784 1.415176 0.140329
H 8.240942 -0.682262 -0.481875
H 6.214156 3.334978 0.584351
H 6.025361 -4.420183 -0.849753
H 1.884876 3.843701 0.531561
H 8.211005 -3.168228 -0.930040
H 4.188664 4.825194 0.822274
H -7.162090 2.245766 0.615309
H -7.005834 -1.923548 -0.583245
H -8.975970 1.688938 2.287272
H -8.780731 -2.478777 1.066183
H -9.776365 -0.683593 2.512327


