%chk=000070569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070569

0 1
 O  -0.3231000       2.007400     -0.8187000    
 O   6.2899999E-02  -2.655000     -0.4612000    
 N  -8.5299999E-02 -0.3256000     -0.6560000    
 N   -1.950000      -1.669600      0.1641000    
 N   -3.100600       1.638100      0.2285000    
 N   -3.948000     -0.3572000      0.7490000    
 C    2.290900     -0.1038000     -3.7099998E-02
 C    1.262300     -0.2680000      -1.152000    
 C    3.725200     -1.7500000E-02 -0.5696000    
 C    4.724000      0.2071000      0.5685000    
 C   -2.117800      0.7263000     -3.0099999E-02
 C  -0.7942000      0.9107000     -0.5305000    
 C   -2.662300     -0.4856000      0.2966000    
 C  -0.6191000      -1.633300     -0.3221000    
 C    6.171900      0.3310000      8.9100003E-02
 C   -4.182900      0.9377000      0.6955000    
 C   -2.573300      -2.936800      0.5255000    
 C    7.159500      0.6248000       1.207700    
 C   -3.040000       3.069400      5.2800000E-02
 H    2.211800     -0.9439000      0.6642000    
 H    2.061300      0.8019000      0.5386000    
 H    1.484500      -1.178000      -1.721700    
 H    1.354600      0.5677000      -1.856000    
 H    3.976600     -0.9408000      -1.105000    
 H    3.800400      0.8065000      -1.289300    
 H    4.652400     -0.6208000       1.284600    
 H    4.450000       1.120000       1.112100    
 H    6.468100     -0.5976000     -0.4130000    
 H    6.239700       1.131300     -0.6575000    
 H   -5.108600       1.419700      0.9794000    
 H   -1.893400      -3.778000      0.3681000    
 H   -3.465000      -3.083400     -9.1899998E-02
 H   -2.856900      -2.905100       1.581900    
 H    6.916700       1.569400       1.704600    
 H    7.146300     -0.1716000       1.958300    
 H    8.175500      0.7008000      0.8082000    
 H   -2.236500       3.461500      0.6811000    
 H   -2.847400       3.280900      -1.001900    
 H   -3.992700       3.514600      0.3508000    


%chk=000070569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070569

0 1
O -0.323635 2.061690 -0.894288
O 0.120808 -2.613959 -0.416234
N -0.134001 -0.289018 -0.661674
N -1.935281 -1.662391 0.185185
N -3.224984 1.658340 0.202526
N -3.999604 -0.421690 0.767890
C 2.288319 -0.048094 -0.007217
C 1.270694 -0.216519 -1.155858
C 3.736266 0.038784 -0.538194
C 4.778304 0.211612 0.589479
C -2.184011 0.751648 -0.055226
C -0.850390 0.953079 -0.561222
C -2.693755 -0.507966 0.302546
C -0.607516 -1.586551 -0.301261
C 6.230969 0.303377 0.069213
C -4.281414 0.906937 0.690180
C -2.501048 -2.970203 0.570934
C 7.265524 0.477056 1.202027
C -3.185125 3.113640 -0.011209
H 2.197897 -0.906525 0.685720
H 2.045660 0.870769 0.560748
H 1.473054 -1.147761 -1.709970
H 1.322375 0.647920 -1.839012
H 3.973056 -0.877946 -1.117354
H 3.819617 0.889680 -1.246266
H 4.697219 -0.638886 1.298087
H 4.540453 1.126013 1.172052
H 6.467395 -0.610381 -0.513305
H 6.310648 1.152963 -0.639445
H -5.231960 1.351461 0.975711
H -1.726870 -3.730833 0.396143
H -3.395779 -3.187602 -0.035924
H -2.791993 -2.957441 1.634577
H 7.068178 1.399791 1.779795
H 7.226866 -0.374149 1.907922
H 8.295489 0.540343 0.805299
H -2.379866 3.566332 0.588942
H -2.988404 3.339300 -1.071373
H -4.155658 3.542381 0.285657


