%chk=000045374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045374

0 1
 O  -0.6666000      -1.262600     -0.1430000    
 N   -4.347800      -1.391600     -9.6000005E-03
 C   0.3349000     -0.4040000      0.3857000    
 C    1.724800     -0.9509000      0.1233000    
 C   0.1463000       1.005300     -0.1358000    
 C   -1.970600     -0.8297000      0.2218000    
 C    2.728500     -0.7746000       1.058500    
 C   -2.988400      -1.788900     -0.3744000    
 C  -0.1989000       2.011700      0.7488000    
 C    1.950000      -1.621800      -1.066000    
 C   0.3226000       1.254100      -1.485300    
 C  -0.3732000       3.309400      0.2678000    
 C    3.999600      -1.285900      0.7965000    
 C    2.489200     -5.0200000E-02   2.342600    
 C    3.221000      -2.133100      -1.327900    
 C   0.1484000       2.551700      -1.966200    
 C  -0.1996000       3.579300      -1.089600    
 C    4.245700      -1.965200     -0.3968000    
 C   -4.496200      -1.354200       1.444800    
 C   -5.323700      -2.307100     -0.5996000    
 C  -0.7463000       4.408400       1.204700    
 H   0.1718000     -0.4161000       1.469600    
 H   -2.015200     -0.8192000       1.315000    
 H   -2.187600      0.1734000     -0.1599000    
 H   -2.872700      -1.784000      -1.466100    
 H   -2.763000      -2.814000     -5.0099999E-02
 H  -0.3361000       1.802400       1.806200    
 H    1.168200      -1.773100      -1.804100    
 H   0.5704000      0.4725000      -2.194400    
 H    4.809600      -1.164700       1.510800    
 H    3.411600      3.4600001E-02   2.929000    
 H    2.143600      0.9712000       2.162700    
 H    1.769200     -0.5872000       2.968100    
 H    3.412700      -2.663500      -2.256100    
 H   0.2787000       2.761200      -3.023900    
 H  -0.3320000       4.586200      -1.476800    
 H    5.235200      -2.363800     -0.6008000    
 H   -3.989600     -0.4900000       1.885400    
 H   -4.141200      -2.271700       1.928300    
 H   -5.551300      -1.225800       1.716600    
 H   -6.345000      -1.978300     -0.3773000    
 H   -5.203600      -3.333000     -0.2328000    
 H   -5.230600      -2.318000      -1.691400    
 H   0.1538000       4.844700       1.649100    
 H   -1.300400       5.199700      0.6886000    
 H   -1.391700       4.037500       2.008300    


%chk=000045374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045374

0 1
O -0.702719 -1.208767 -0.071276
N -4.424851 -1.568536 0.003490
C 0.358183 -0.354544 0.505089
C 1.697499 -1.012265 0.172715
C 0.247362 1.087190 -0.012249
C -2.062174 -0.803667 0.315933
C 2.876941 -0.648297 0.890524
C -2.996698 -1.911481 -0.193237
C -0.217238 2.116810 0.839368
C 1.773841 -1.975893 -0.861572
C 0.561488 1.394926 -1.359642
C -0.370708 3.451212 0.382724
C 4.102909 -1.265043 0.536011
C 2.847466 0.371753 2.016706
C 3.004278 -2.579889 -1.201649
C 0.405150 2.713840 -1.833619
C -0.057025 3.734984 -0.970041
C 4.176926 -2.221529 -0.501257
C -4.853507 -1.642959 1.415253
C -5.315276 -2.350489 -0.878111
C -0.838370 4.548693 1.323998
H 0.219084 -0.332044 1.611366
H -2.112437 -0.692975 1.422028
H -2.338990 0.163205 -0.147486
H -2.812608 -2.025529 -1.277201
H -2.717546 -2.880477 0.291912
H -0.466597 1.876919 1.882873
H 0.851652 -2.255856 -1.377422
H 0.925490 0.603166 -2.023196
H 5.011585 -0.990300 1.085759
H 3.851238 0.502949 2.455361
H 2.498203 1.359175 1.662189
H 2.164040 0.063308 2.832273
H 3.044774 -3.325740 -2.003562
H 0.643604 2.951325 -2.876750
H -0.175039 4.758063 -1.348018
H 5.138189 -2.683139 -0.754530
H -4.248475 -0.963148 2.039240
H -4.770243 -2.674304 1.846118
H -5.907726 -1.323047 1.497190
H -6.355570 -1.996330 -0.761286
H -5.301803 -3.450445 -0.665764
H -5.020866 -2.201922 -1.932039
H 0.014259 4.990060 1.876257
H -1.332770 5.368799 0.774387
H -1.550425 4.163337 2.075444


