%chk=000039290.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039290

0 1
 O   0.6726000       1.359700      -2.124300    
 N   -3.555000      0.7339000     -0.1193000    
 N  -0.1492000     -0.5123000     -0.9440000    
 C   -4.272900     -0.5486000     -0.1203000    
 C   -4.068400       1.629200      0.9270000    
 C   -2.119000      0.5161000      5.2999999E-02
 C   -5.771000     -0.3420000     -0.3486000    
 C   -5.559900       1.907100      0.7326000    
 C   -6.362900      0.6123000      0.6823000    
 C   -1.570000     -0.3122000      -1.104800    
 C    2.202100     -0.2509000      -1.074700    
 C   0.4233000      -1.580100     -0.2395000    
 C    1.813800      -1.468700     -0.2802000    
 C   0.8340000      0.3374000      -1.473100    
 C    2.997600      0.7378000     -0.2949000    
 C  -0.2049000      -2.620700      0.4225000    
 C    2.620000      -2.411000      0.3349000    
 C   0.6018000      -3.571000       1.052400    
 C    2.002700      -3.467900       1.008200    
 C    4.392000      0.7216000     -0.3609000    
 C    2.350800       1.682800      0.5033000    
 C    5.137200       1.647600      0.3692000    
 C    3.096000       2.608800       1.233200    
 C    4.489200       2.591100       1.166100    
 H   -4.112700      -1.090400      0.8211000    
 H   -3.954400      -1.201500     -0.9362000    
 H   -3.536300       2.587600      0.8904000    
 H   -3.901000       1.201100       1.924200    
 H   -1.905100      2.5699999E-02   1.012000    
 H   -1.597500       1.482100      7.0100002E-02
 H   -6.290300      -1.305900     -0.2989000    
 H   -5.938200      5.9799999E-02  -1.356200    
 H   -5.710900       2.467300     -0.1988000    
 H   -5.928200       2.538900       1.548700    
 H   -7.409200      0.8274000      0.4392000    
 H   -6.352200      0.1362000       1.670500    
 H   -1.732200      0.2265000      -2.046900    
 H   -2.019300      -1.300500      -1.215700    
 H    2.706100     -0.5507000      -2.001700    
 H   -1.284000      -2.711900      0.4665000    
 H    3.701500      -2.340200      0.2990000    
 H   0.1427000      -4.401300       1.582300    
 H    2.611200      -4.220700       1.502300    
 H    4.909100     -8.8000000E-03 -0.9777000    
 H    1.269600       1.715600      0.6017000    
 H    6.221900       1.633500      0.3174000    
 H    2.592100       3.340200       1.858400    
 H    5.069400       3.311200       1.735700    


%chk=000039290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039290

0 1
O 0.744309 1.372062 -2.043012
N -3.635385 0.609253 -0.126420
N -0.101216 -0.533682 -0.924442
C -4.390111 -0.604679 0.277088
C -4.193773 1.832772 0.506374
C -2.176097 0.464553 0.064791
C -5.878208 -0.491478 -0.112564
C -5.674619 2.023931 0.120266
C -6.506497 0.778825 0.504888
C -1.527107 -0.258537 -1.144252
C 2.283307 -0.302144 -0.926062
C 0.428972 -1.641459 -0.211055
C 1.847724 -1.552247 -0.178611
C 0.922415 0.319693 -1.379013
C 3.146817 0.700733 -0.159527
C -0.262509 -2.710054 0.390754
C 2.596896 -2.545068 0.468335
C 0.506989 -3.710407 1.036694
C 1.919080 -3.633968 1.079079
C 4.012209 1.566534 -0.873484
C 3.064281 0.822384 1.250550
C 4.786051 2.531979 -0.192571
C 3.837398 1.787953 1.932706
C 4.702034 2.645760 1.214269
H -4.311974 -0.770621 1.385660
H -3.941078 -1.487652 -0.215887
H -3.598429 2.700214 0.166843
H -4.111692 1.786147 1.625173
H -1.925217 -0.081125 1.008571
H -1.721995 1.468975 0.142782
H -6.417172 -1.397848 0.224898
H -5.954594 -0.444732 -1.215940
H -5.736822 2.187942 -0.972890
H -6.070700 2.928956 0.619772
H -7.555031 0.894223 0.171362
H -6.527212 0.677799 1.610205
H -1.611904 0.388574 -2.032909
H -2.048177 -1.208891 -1.360208
H 2.817226 -0.575286 -1.858577
H -1.355094 -2.774765 0.368241
H 3.689700 -2.477727 0.507216
H -0.004197 -4.554478 1.513277
H 2.491480 -4.417466 1.586588
H 4.069795 1.492036 -1.965683
H 2.402200 0.155825 1.814860
H 5.451273 3.194267 -0.757888
H 3.765584 1.870750 3.023236
H 5.303070 3.393378 1.744019


