%chk=000053752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053752

0 1
 O   -3.564700      -2.108200      0.6292000    
 O    1.969800      -1.606400     -0.7373000    
 N   -3.072700      0.4908000     -6.9399998E-02
 N   -1.467000      -2.793300     -8.1500001E-02
 C   -3.008300       1.780500     -0.7949000    
 C   -3.806800       2.861000     -3.7799999E-02
 C   -3.333200       3.014300       1.401600    
 C   -2.559300      0.6271000       1.305100    
 C   -3.343900       1.665500       2.103600    
 C   -2.336500     -0.5761000     -0.7536000    
 C   -3.567100       1.685600      -2.221900    
 C   -2.529100      -1.883700     -3.5000001E-03
 C  -0.2505000      -2.511700     -0.8337000    
 C   -1.498300      -4.093100      0.5854000    
 C   0.7933000      -1.827300      2.9800000E-02
 C    2.732200     -0.5188000     -0.3998000    
 C    3.747900     -0.6526000      0.5421000    
 C    2.486500      0.7112000      -1.002300    
 C    4.282900       1.689100      0.2836000    
 C    4.525100      0.4540000      0.8847000    
 C    3.263600       1.817800     -0.6600000    
 C    4.022900      -1.966700       1.196000    
 C    1.400200      0.8685000      -2.015100    
 C    5.113100       2.872700      0.6497000    
 H   -1.962700       2.111600     -0.8638000    
 H   -3.709800       3.826600     -0.5488000    
 H   -4.875300       2.606900     -4.0899999E-02
 H   -2.317600       3.428600       1.412600    
 H   -3.976100       3.722100       1.936100    
 H   -2.620100     -0.3023000       1.878900    
 H   -1.498500      0.9134000       1.287900    
 H   -4.379000       1.325400       2.235400    
 H   -2.910800       1.768400       3.105000    
 H   -1.294800     -0.2743000     -0.8402000    
 H   -2.733400     -0.7605000      -1.757100    
 H   -3.638300       2.680100      -2.676800    
 H   -2.919800       1.089800      -2.872800    
 H   -4.569100       1.242600      -2.230100    
 H   0.1523000      -3.458300      -1.217300    
 H  -0.4642000      -1.926100      -1.733500    
 H   -2.426000      -4.220000       1.149000    
 H   -1.432200      -4.880700     -0.1707000    
 H  -0.6515000      -4.165800       1.273000    
 H   0.4074000     -0.8878000      0.4435000    
 H    1.054800      -2.466900      0.8805000    
 H    5.317800      0.3576000       1.622800    
 H    3.073300       2.782400      -1.124700    
 H    5.020600      -1.988900       1.648100    
 H    3.289100      -2.157300       1.985300    
 H    3.989100      -2.784100      0.4680000    
 H    1.634500       1.674000      -2.720000    
 H    1.266400     -3.7999999E-02  -2.613800    
 H   0.4577000       1.113500      -1.517800    
 H    5.210900       3.563500     -0.1947000    
 H    4.656300       3.406700       1.488800    
 H    6.126800       2.571700      0.9354000    


%chk=000053752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053752

0 1
O -3.290478 -2.019159 1.246157
O 2.067347 -1.219661 -0.945032
N -3.501573 0.567473 0.079380
N -1.269822 -2.485969 0.193765
C -3.731629 1.700524 -0.874666
C -4.976417 2.505892 -0.421884
C -4.860305 3.008852 1.031609
C -3.331353 1.044376 1.480061
C -4.565743 1.820422 1.969536
C -2.397134 -0.315111 -0.319358
C -3.936338 1.212387 -2.325614
C -2.371598 -1.659832 0.451036
C -0.148912 -2.129959 -0.695766
C -1.197248 -3.801130 0.858853
C 1.013871 -1.457856 0.060383
C 3.146547 -0.397190 -0.493703
C 4.249627 -0.989241 0.171976
C 3.105814 0.989198 -0.802492
C 5.322699 1.240980 0.269916
C 5.328869 -0.147662 0.541940
C 4.205338 1.787979 -0.411416
C 4.281648 -2.478578 0.462846
C 1.924864 1.578945 -1.551026
C 6.479636 2.128462 0.697860
H -2.849059 2.400190 -0.853185
H -5.114503 3.357795 -1.116054
H -5.862634 1.847485 -0.517323
H -4.035504 3.748614 1.103225
H -5.788750 3.530059 1.333713
H -3.173479 0.160766 2.118688
H -2.424164 1.704718 1.561435
H -5.430455 1.130437 1.986058
H -4.391745 2.168599 3.006014
H -1.396568 0.187249 -0.209147
H -2.506163 -0.563032 -1.390413
H -4.331638 2.041644 -2.939761
H -3.004585 0.869171 -2.810016
H -4.672058 0.387424 -2.345377
H 0.231587 -3.051108 -1.174899
H -0.480197 -1.464015 -1.508495
H -2.064585 -3.890631 1.530515
H -1.229972 -4.617420 0.112143
H -0.266606 -3.897842 1.449358
H 0.690469 -0.498224 0.512515
H 1.395049 -2.115227 0.868343
H 6.194887 -0.592490 1.048804
H 4.192441 2.859517 -0.649154
H 5.319344 -2.853805 0.485790
H 3.829297 -2.710385 1.447503
H 3.719275 -3.040397 -0.302399
H 2.111057 2.634695 -1.811717
H 1.723753 1.015370 -2.479363
H 0.996208 1.539882 -0.948482
H 6.735017 2.865933 -0.084447
H 6.229102 2.698737 1.613535
H 7.385366 1.536251 0.915533


