%chk=000131205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131205

0 1
 O    3.134800      0.6396000       1.660300    
 O   -3.001100       1.272900       1.233300    
 N    6.115300      0.2695000     -0.4733000    
 C    7.458100     -0.2726000     -0.2680000    
 C    6.326100       1.642200     -0.9322000    
 C    8.221100      0.2400000      -1.480400    
 C    7.479300       1.500400      -1.914800    
 C    5.300000      0.2050000      0.7306000    
 C    3.901800      0.7376000      0.4611000    
 C   -2.436700     -4.8900001E-02   1.098100    
 C   -2.782200     -0.8177000     -0.1673000    
 C  -0.9588000      0.1343000       1.247000    
 C    1.790900      0.4734000       1.524200    
 C   -3.593800     -0.3035000      -1.102100    
 C   -4.144500       1.027300     -0.8987000    
 C   -3.826900       1.744400      0.2546000    
 C   -2.260300      -2.165600     -0.3357000    
 C  -0.3043000     -0.3963000       2.355200    
 C  -0.2465000      0.8335000      0.2766000    
 C    1.073200     -0.2265000       2.493900    
 C    1.131000       1.003400      0.4154000    
 C   -4.996600       1.598900      -1.851900    
 C   -4.354000       3.023300      0.4544000    
 C   -1.052900      -2.367900      -1.003300    
 C   -2.968000      -3.254000      0.1730000    
 C   -5.523000       2.875700      -1.650700    
 C   -5.201700       3.587800     -0.4975000    
 C  -0.5526000      -3.660300      -1.162300    
 C   -2.467700      -4.546400      1.4000000E-02
 C   -1.260000      -4.749600     -0.6536000    
 H    7.460100      -1.366200     -0.2235000    
 H    7.917600      0.1158000      0.6500000    
 H    5.451200       2.065000      -1.435300    
 H    6.619100       2.308600     -0.1107000    
 H    9.268000      0.4487000      -1.237600    
 H    8.204600     -0.4977000      -2.291400    
 H    8.130900       2.379900      -1.898100    
 H    7.107300       1.376800      -2.938700    
 H    5.216600     -0.8356000       1.070000    
 H    5.752600      0.7579000       1.564700    
 H    3.458700      0.1426000     -0.3490000    
 H    3.923800       1.793300      0.1707000    
 H   -2.833900     -0.6185000       1.948900    
 H   -3.862600     -0.8483000      -2.001400    
 H  -0.8494000     -0.9447000       3.118400    
 H  -0.7434000       1.263000     -0.5890000    
 H    1.582000     -0.6421000       3.359500    
 H    1.646400       1.578800     -0.3478000    
 H   -5.259000       1.058600      -2.758600    
 H   -4.106800       3.586100       1.350900    
 H  -0.4922000      -1.536200      -1.421200    
 H   -3.910200      -3.112500      0.6971000    
 H   -6.183100       3.313900      -2.393600    
 H   -5.610400       4.581700     -0.3403000    
 H   0.3861000      -3.818700      -1.685000    
 H   -3.018300      -5.394500      0.4103000    
 H  -0.8708000      -5.755800     -0.7779000    


%chk=000131205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131205

0 1
O 3.183119 0.343600 1.477561
O -3.193557 0.731717 1.409343
N 6.389704 0.893898 -0.339385
C 7.822062 0.695961 0.001904
C 6.300368 2.195033 -1.066751
C 8.536864 1.155425 -1.283141
C 7.695527 2.386518 -1.741578
C 5.454180 0.734555 0.786412
C 4.021862 0.528459 0.279272
C -2.494960 -0.576332 1.102391
C -3.034295 -1.209119 -0.180831
C -0.985080 -0.358868 1.131550
C 1.813730 0.119089 1.289533
C -3.469823 -0.368259 -1.178797
C -3.547592 1.076763 -0.993835
C -3.412168 1.595438 0.329203
C -3.019460 -2.686542 -0.300887
C -0.328311 -0.278783 2.390399
C -0.212047 -0.196722 -0.041242
C 1.053313 -0.043882 2.476603
C 1.178036 0.042649 0.024961
C -3.836278 1.985467 -2.046634
C -3.582902 2.967916 0.599439
C -3.863866 -3.362054 -1.231629
C -2.169792 -3.483334 0.521640
C -3.988694 3.363776 -1.791920
C -3.867560 3.851173 -0.465922
C -3.841864 -4.765413 -1.351126
C -2.152263 -4.889378 0.405417
C -2.984083 -5.540304 -0.533434
H 8.016391 -0.361577 0.255638
H 8.143590 1.325224 0.871744
H 5.478137 2.171228 -1.805076
H 6.092032 3.036932 -0.360097
H 9.598080 1.405177 -1.110814
H 8.485749 0.352460 -2.038960
H 8.159989 3.327275 -1.396783
H 7.620852 2.438336 -2.840857
H 5.745306 -0.158064 1.369752
H 5.469340 1.609292 1.484952
H 3.975342 -0.368208 -0.369406
H 3.662158 1.408301 -0.291711
H -2.790469 -1.180646 1.978278
H -3.786732 -0.774216 -2.146811
H -0.914229 -0.392374 3.310644
H -0.696925 -0.267887 -1.020567
H 1.566088 0.017655 3.441249
H 1.747616 0.159885 -0.901361
H -3.946737 1.597608 -3.066994
H -3.486683 3.323998 1.629604
H -4.565867 -2.785087 -1.843690
H -1.493321 -3.001592 1.235758
H -4.206802 4.054732 -2.612887
H -3.990955 4.920404 -0.261090
H -4.505432 -5.258719 -2.070468
H -1.483774 -5.476591 1.045053
H -2.972014 -6.632190 -0.622312


