%chk=000079481.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079481

0 1
 O   -2.505600       2.741000     -9.9999998E-03
 O   -4.727800      -1.323600      0.7563000    
 N  -0.1314000       1.064500     -0.6878000    
 N   -2.500500      -1.396800      8.6199999E-02
 N  -0.1566000      -1.164000     -0.6272000    
 N   -3.643300      0.7183000      0.3810000    
 C    2.966600     -3.2099999E-02 -0.1076000    
 C    1.986000     -7.3399998E-02  -1.299300    
 C    4.429300     -5.3500000E-02 -0.5547000    
 C   0.5743000     -9.6299998E-02 -0.8729000    
 C    5.378400      2.1900000E-02  0.6423000    
 C   -1.390700      0.7071000     -0.2997000    
 C   -1.378900     -0.6608000     -0.2705000    
 C    6.839400      3.4000002E-02  0.1934000    
 C   -2.522400       1.514000      2.3300000E-02
 C   -3.698100     -0.7216000      0.4313000    
 C    7.785400      0.1423000       1.378600    
 C   -2.438400      -2.853100      0.1030000    
 C   -4.865900       1.431900      0.7340000    
 H    2.776700      0.8714000      0.4859000    
 H    2.773600     -0.8874000      0.5528000    
 H    2.170200      0.7880000      -1.953300    
 H    2.189900     -0.9682000      -1.900400    
 H    4.625800     -0.9692000      -1.125000    
 H    4.617100      0.7928000      -1.226600    
 H    5.203500     -0.8337000       1.305900    
 H    5.166100      0.9287000       1.221800    
 H   0.2156000       2.006500     -0.8135000    
 H    7.064500     -0.8816000     -0.3657000    
 H    7.014800      0.8787000     -0.4830000    
 H    8.824500      0.1478000       1.034900    
 H    7.608200       1.065800       1.939100    
 H    7.657700     -0.7041000       2.061000    
 H   -3.393200      -3.292100      0.4028000    
 H   -1.666800      -3.167900      0.8125000    
 H   -2.185100      -3.209800     -0.9001000    
 H   -4.754900       2.517000      0.6755000    
 H   -5.151600       1.152300       1.753000    
 H   -5.664200       1.113300      5.6100000E-02


%chk=000079481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079481

0 1
O -2.689352 2.807902 -0.014332
O -4.770922 -1.358616 0.778224
N -0.170734 1.131628 -0.733311
N -2.527531 -1.390878 0.086937
N -0.170220 -1.139645 -0.651997
N -3.716578 0.697405 0.378710
C 2.988673 0.024782 -0.112565
C 2.016634 -0.032164 -1.327305
C 4.468758 -0.031108 -0.549479
C 0.572735 -0.027086 -0.925431
C 5.451901 0.047981 0.640401
C -1.452239 0.753162 -0.319989
C -1.416266 -0.647834 -0.280265
C 6.934998 -0.017293 0.209024
C -2.608890 1.539812 0.005754
C -3.731194 -0.727907 0.431830
C 7.911862 0.077558 1.400840
C -2.468017 -2.864987 0.121429
C -4.989544 1.357468 0.749998
H 2.806290 0.951735 0.467889
H 2.762952 -0.822721 0.562940
H 2.226405 0.818084 -2.005513
H 2.205554 -0.960358 -1.895013
H 4.649337 -0.969919 -1.113221
H 4.679768 0.801046 -1.253891
H 5.240362 -0.779784 1.348884
H 5.276079 0.989479 1.201682
H 0.135869 2.095315 -0.865008
H 7.112466 -0.962651 -0.343292
H 7.142481 0.804159 -0.507163
H 8.964540 0.028719 1.067112
H 7.774893 1.028155 1.950110
H 7.745587 -0.749350 2.116871
H -3.455770 -3.229580 0.438257
H -1.692397 -3.195561 0.832376
H -2.218601 -3.256916 -0.878836
H -4.831254 2.442570 0.663807
H -5.269498 1.087039 1.781136
H -5.796936 1.028460 0.075799


