%chk=000089630.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089630

0 1
 N   -3.722800     -0.7514000     -0.2595000    
 N   -2.335700     -0.8156000     -0.3956000    
 N   -2.070900       1.563500     -0.2018000    
 C  -0.1533000      0.2382000     -0.7426000    
 C   -1.625800      0.3684000     -0.4257000    
 C   -4.044500      0.3358000      0.6710000    
 C   0.6569000      0.1224000      0.5387000    
 C   -3.507600       1.643500      9.4899997E-02
 C    2.141800      9.9999997E-05  0.2970000    
 C   -4.192300      -2.032300      0.2663000    
 C    2.704300      -1.257800      0.1462000    
 C    2.916400       1.147500      0.2298000    
 C    4.076500      -1.371100     -7.7399999E-02
 C    4.288600       1.034000      6.2000002E-03
 C    4.868600     -0.2253000     -0.1475000    
 H   7.1999999E-03 -0.6367000      -1.384000    
 H   0.1622000       1.116900      -1.318700    
 H   -3.610200      0.1570000       1.664500    
 H   -5.130400      0.4224000      0.7939000    
 H   0.3126000     -0.7415000       1.123600    
 H   0.4663000      0.9899000       1.185200    
 H   -4.046100       1.917700     -0.8203000    
 H   -3.669300       2.448300      0.8202000    
 H   -1.910100      -1.697400     -0.6652000    
 H   -5.280500      -2.017200      0.3942000    
 H   -3.735900      -2.282700       1.231600    
 H   -3.970500      -2.842400     -0.4382000    
 H    2.095100      -2.155800      0.1969000    
 H    2.473400       2.132400      0.3461000    
 H    4.528000      -2.351500     -0.1977000    
 H    4.905400       1.926200     -4.8999999E-02
 H    5.936900     -0.3134000     -0.3219000    


%chk=000089630-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089630

0 1
N -3.908414 -0.586253 -0.468317
N -2.463059 -0.876249 -0.432808
N -1.919850 1.266026 0.548634
C -0.113942 -0.149593 -0.354766
C -1.577217 0.145577 -0.046298
C -4.223193 0.219952 0.749817
C 0.840105 0.338756 0.770597
C -3.370442 1.507755 0.750580
C 2.301412 0.164713 0.388786
C -4.637349 -1.878815 -0.469349
C 3.019144 -1.005050 0.750497
C 2.973055 1.156350 -0.374069
C 4.366721 -1.182462 0.361561
C 4.319655 0.984729 -0.765987
C 5.022129 -0.187649 -0.400449
H 0.029316 -1.235576 -0.521055
H 0.161642 0.360084 -1.299622
H -4.015338 -0.368282 1.675342
H -5.300987 0.458450 0.716848
H 0.609366 -0.223030 1.695051
H 0.594190 1.396579 0.969727
H -3.730015 2.192435 -0.042332
H -3.504190 2.033061 1.715476
H -2.174389 -1.489411 -1.201407
H -5.718052 -1.658992 -0.493473
H -4.408725 -2.508949 0.420770
H -4.387991 -2.448648 -1.383277
H 2.518720 -1.778130 1.347784
H 2.436040 2.072047 -0.652742
H 4.905571 -2.090732 0.655749
H 4.822651 1.764547 -1.349627
H 6.067734 -0.321137 -0.700439


