%chk=000048259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048259

0 1
 O  -0.7496000       1.059800      0.3319000    
 O   0.7915000       1.961400      -1.121100    
 N   -3.448200     -0.3550000      0.7419000    
 C    1.452800      0.1948000      0.4640000    
 C   -1.532700       2.257300      0.3568000    
 C    1.049500      -1.239000      0.3871000    
 C    2.909100      0.4337000      3.9799999E-02
 C   -2.885600       1.982900       1.024000    
 C   0.4927000       1.176600     -0.2299000    
 C  -0.7515000       3.326900       1.109700    
 C   -3.663000      0.9004000      0.3132000    
 C    1.401200      -2.118300       1.411400    
 C    3.390700     -0.2439000      -1.053400    
 C   0.3203000      -1.700700     -0.7087000    
 C    3.666800       1.315100      0.7716000    
 C    1.023900      -3.459200       1.339600    
 C    4.713500     -2.6699999E-02  -1.439000    
 C  -5.7100002E-02  -3.041800     -0.7803000    
 C    4.989600       1.532300      0.3858000    
 C   -4.519800       1.260500     -0.7025000    
 C   0.2948000      -3.921000      0.2440000    
 C    5.512900      0.8612000     -0.7195000    
 C   -5.220100      0.2401000      -1.336500    
 C   -4.146300      -1.320000      0.1022000    
 C   -5.035500      -1.077500     -0.9323000    
 H    1.388100      0.4819000       1.526400    
 H   -1.707200       2.584200     -0.6767000    
 H   -3.483900       2.900700       1.078900    
 H   -2.723300       1.653200       2.058900    
 H  -0.4283000       2.958500       2.090000    
 H   0.1493000       3.645700      0.5773000    
 H   -1.365600       4.220600       1.262600    
 H    1.969900      -1.772600       2.270600    
 H    2.790500     -0.9235000      -1.646800    
 H   4.2599998E-02  -1.043800      -1.528200    
 H    3.266000       1.843600       1.630700    
 H    1.298200      -4.143900       2.136800    
 H    5.119900     -0.5451000      -2.302700    
 H  -0.6228000      -3.402000      -1.634500    
 H    5.611800       2.224800      0.9452000    
 H   -4.653300       2.291700      -1.009500    
 H   1.4000000E-03  -4.965200      0.1879000    
 H    6.542400       1.031400      -1.020600    
 H   -5.907900      0.4711000      -2.144300    
 H   -3.965200      -2.330400      0.4539000    
 H   -5.570100      -1.889000      -1.412500    


%chk=000048259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048259

0 1
O -0.549981 1.400490 0.579531
O 0.085714 1.142859 -1.648641
N -3.604989 0.640723 2.395725
C 1.079790 -0.297602 0.133590
C -1.440167 2.556843 0.201770
C 0.925883 -1.662912 -0.551171
C 2.531103 0.230748 0.118820
C -2.590923 2.545161 1.222621
C 0.170566 0.793447 -0.447246
C -0.607417 3.844240 0.229700
C -3.441520 1.284632 1.196969
C 1.126873 -2.824628 0.238780
C 3.317006 0.205056 -1.059846
C 0.633129 -1.818142 -1.930186
C 3.081854 0.780437 1.303162
C 1.041625 -4.113202 -0.331259
C 4.633279 0.716484 -1.050193
C 0.542637 -3.109104 -2.499694
C 4.399882 1.290265 1.314174
C -4.044612 0.808328 0.003168
C 0.748209 -4.260597 -1.706975
C 5.180468 1.259519 0.136065
C -4.829568 -0.363356 0.042672
C -4.370934 -0.489639 2.420170
C -4.998678 -1.032248 1.276982
H 0.779140 -0.406128 1.189731
H -1.799397 2.362880 -0.826206
H -3.222982 3.432247 1.014853
H -2.185684 2.657299 2.242801
H -0.184369 4.013593 1.235392
H 0.218758 3.787456 -0.498710
H -1.239521 4.712241 -0.033679
H 1.355902 -2.717364 1.306393
H 2.901691 -0.219896 -1.979334
H 0.463089 -0.930748 -2.548270
H 2.476263 0.811271 2.217240
H 1.199864 -4.998024 0.295709
H 5.233166 0.689367 -1.966947
H 0.311178 -3.213381 -3.566017
H 4.815539 1.707780 2.238258
H -3.899647 1.345864 -0.940502
H 0.678563 -5.259318 -2.152716
H 6.203415 1.652435 0.142136
H -5.299290 -0.747215 -0.869274
H -4.475165 -0.971051 3.399739
H -5.597340 -1.945311 1.353917


