%chk=000169252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169252

0 1
 O   -1.093000       3.637000      -1.690200    
 O   -1.660000      -3.182600     -0.6690000    
 O   -3.721000      -3.679300       1.128900    
 N   -1.971700       2.292900     -1.3100000E-02
 C    2.653200       1.316400      0.9586000    
 C    3.717600      0.7735000      1.1000000E-03
 C    1.667100       2.278100      0.2863000    
 C    4.660500     -0.2427000      0.6543000    
 C   0.6468000       2.881600       1.257500    
 C    5.678900     -0.8433000     -0.3172000    
 C  -0.2743000       3.893100      0.5749000    
 C    6.597200      -1.840600      0.3910000    
 C   -1.145900       3.288900     -0.5138000    
 C    7.586900      -2.470600     -0.5762000    
 C   -2.880900       1.540100     -0.8456000    
 C   -3.101800      0.1503000     -0.3226000    
 C   -2.271300     -0.8823000     -0.7420000    
 C   -4.134600     -8.9699998E-02  0.5761000    
 C   -2.476300      -2.173500     -0.2556000    
 C   -4.339700      -1.381000       1.062300    
 C   -3.510600      -2.422800      0.6465000    
 C  -0.6271000      -2.843700      -1.592200    
 H    2.093300      0.4787000       1.392200    
 H    3.150500       1.830000       1.790600    
 H    4.306100       1.608200     -0.3988000    
 H    3.219500      0.2990000     -0.8535000    
 H    1.144800       1.741500     -0.5150000    
 H    2.231200       3.089400     -0.1906000    
 H    4.063900      -1.052100       1.093200    
 H    5.190300      0.2443000       1.482400    
 H    1.182200       3.392800       2.066900    
 H   6.9399998E-02   2.076000       1.724500    
 H    6.278900     -4.0700000E-02 -0.7628000    
 H    5.149700      -1.344800      -1.136400    
 H  -0.9355000       4.349500       1.321300    
 H   0.3160000       4.703300      0.1312000    
 H    7.147800      -1.335100       1.192700    
 H    5.998800      -2.632200      0.8570000    
 H    7.066600      -3.013400      -1.371900    
 H    8.222600      -1.708700      -1.038400    
 H    8.233700      -3.178700     -4.8799999E-02
 H   -2.008900       2.138700      0.9904000    
 H   -2.505200       1.511000      -1.875400    
 H   -3.826700       2.094100     -0.8791000    
 H   -1.483200     -0.6258000      -1.441700    
 H   -4.785000      0.7147000      0.9082000    
 H   -5.148800      -1.561100       1.765000    
 H   -4.477900      -3.661500       1.739600    
 H  -7.6800004E-02  -3.764600      -1.811900    
 H   -1.036500      -2.484500      -2.542600    
 H   9.1200002E-02  -2.141700      -1.154800    


%chk=000169252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169252

0 1
O -1.107281 3.189999 -1.736339
O -0.818712 -2.569526 -0.087669
O -3.024247 -3.830824 0.746912
N -2.352948 2.593763 0.138954
C 2.606587 1.300904 0.824827
C 3.519878 0.547077 -0.167832
C 1.613938 2.264704 0.136728
C 4.500775 -0.426568 0.523975
C 0.685825 2.980611 1.142343
C 5.401287 -1.200902 -0.464589
C -0.328264 3.955296 0.475464
C 6.386717 -2.165116 0.234956
C -1.286927 3.235580 -0.478916
C 7.281741 -2.940298 -0.755998
C -3.326434 1.771535 -0.603949
C -3.276521 0.295148 -0.226231
C -2.052244 -0.417605 -0.332401
C -4.430805 -0.384899 0.212367
C -1.975797 -1.788469 -0.008567
C -4.366784 -1.761140 0.539318
C -3.153213 -2.468577 0.435355
C 0.401933 -1.907777 -0.554429
H 2.041552 0.562823 1.434402
H 3.236620 1.869263 1.540917
H 4.092726 1.281754 -0.770697
H 2.891831 -0.016662 -0.890321
H 1.003917 1.708465 -0.603066
H 2.174337 3.022719 -0.447488
H 3.926520 -1.150936 1.139717
H 5.140004 0.141307 1.232246
H 1.303225 3.560598 1.857463
H 0.139947 2.223372 1.742866
H 5.973409 -0.479116 -1.084328
H 4.764931 -1.776963 -1.169276
H -0.897437 4.490813 1.260661
H 0.219238 4.706606 -0.119403
H 7.023672 -1.587402 0.935958
H 5.813628 -2.882707 0.857240
H 6.671841 -3.555386 -1.444373
H 7.883988 -2.246192 -1.372216
H 7.979779 -3.616167 -0.228364
H -2.425161 2.622712 1.157801
H -3.071787 1.919301 -1.670479
H -4.348368 2.164137 -0.441720
H -1.163485 0.117565 -0.681971
H -5.383850 0.149527 0.298323
H -5.268838 -2.286487 0.880309
H -3.899311 -4.198471 1.028156
H 1.170870 -2.694033 -0.550344
H 0.277744 -1.509224 -1.580152
H 0.701952 -1.088034 0.127357


