%chk=000048143.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048143

0 1
 O   -5.563100       1.000600     -0.3647000    
 N    4.319200      0.1885000      0.1811000    
 N   0.6060000     -8.2000002E-02  4.2700000E-02
 N  -0.1883000      -2.310200      0.3912000    
 C    2.931600      0.6250000      2.9700000E-02
 C    5.230000       1.324800      4.6300001E-02
 C    4.640700     -0.8439000     -0.8034000    
 C    1.985000     -0.5585000      0.1702000    
 C    4.910300       2.408100       1.062400    
 C    6.060500      -1.353200     -0.6212000    
 C  -0.3376000     -0.9582000      0.1586000    
 C   -1.736400     -0.4340000      1.7999999E-02
 C   -1.945800      0.6557000     -0.7894000    
 C   -2.741700      -1.068800      0.7037000    
 C   -3.246200       1.143000     -0.9198000    
 C   -4.042200     -0.5816000      0.5735000    
 C   -4.294600      0.5243000     -0.2384000    
 C   -6.587300      0.3207000      0.3595000    
 H    2.768100       1.122100     -0.9360000    
 H    2.649800       1.337900      0.8124000    
 H    6.260700       1.019400      0.2542000    
 H    5.208000       1.750900     -0.9646000    
 H    4.025500      -1.736300     -0.6626000    
 H    4.497000     -0.4943000      -1.833300    
 H    2.133500      -1.289900     -0.6288000    
 H    2.135800      -1.042600       1.143200    
 H    4.015800       2.980600      0.7979000    
 H    4.788100       1.998000       2.070900    
 H    5.736800       3.126800       1.102500    
 H    6.809600     -0.6408000     -0.9803000    
 H    6.274000      -1.597600      0.4251000    
 H    6.199900      -2.270500      -1.204800    
 H   -1.146900       1.145300      -1.337200    
 H   -2.570200      -1.915000       1.360700    
 H   -3.437200       2.003400      -1.555400    
 H   -4.808300      -1.105800       1.134800    
 H   0.7265000      -2.732300      0.5057000    
 H  -0.9714000      -2.954700      0.3924000    
 H   -6.699200     -0.7153000      2.1700000E-02
 H   -7.530900      0.8316000      0.1415000    
 H   -6.428800      0.3898000       1.441000    


%chk=000048143-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048143

0 1
O -5.719770 0.833324 -0.646873
N 4.389063 0.291488 -0.181995
N 0.620902 -0.011747 0.071294
N -0.126461 -2.068742 1.071121
C 2.954839 0.652436 -0.320773
C 5.271529 1.468577 0.034248
C 4.859668 -0.595659 -1.279745
C 2.025022 -0.419086 0.281819
C 5.173722 2.032702 1.464691
C 6.059792 -1.473527 -0.875496
C -0.338981 -0.831324 0.449169
C -1.762880 -0.440099 0.213417
C -2.048532 0.567501 -0.750073
C -2.846110 -1.021424 0.917361
C -3.366708 0.966016 -1.011077
C -4.181764 -0.630824 0.667054
C -4.442408 0.364309 -0.306011
C -6.865293 0.254335 0.058180
H 2.661220 0.823468 -1.383783
H 2.760252 1.600522 0.210092
H 6.314687 1.149011 -0.145354
H 5.058706 2.281005 -0.706916
H 4.018260 -1.257090 -1.559908
H 5.113627 -0.007608 -2.199079
H 2.245367 -1.409321 -0.187089
H 2.276285 -0.518399 1.362649
H 4.149100 2.372063 1.701840
H 5.452592 1.256490 2.198618
H 5.850923 2.899044 1.587298
H 6.939156 -0.865268 -0.596252
H 5.794646 -2.101884 -0.007198
H 6.359971 -2.130563 -1.713540
H -1.202606 1.025028 -1.271720
H -2.664528 -1.760420 1.707287
H -3.594350 1.737781 -1.752593
H -4.993260 -1.092967 1.236906
H 0.817194 -2.361699 1.310130
H -0.881222 -2.738613 1.189399
H -6.938260 -0.836707 -0.118269
H -7.747147 0.757604 -0.364532
H -6.809942 0.451263 1.146701


