%chk=000054134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054134

0 1
 O    2.736500      0.9523000       1.492800    
 N    3.783700       1.433100     -0.5257000    
 C   -3.594200      0.3815000     -0.4579000    
 C   -4.813900      6.8800002E-02  0.4115000    
 C   -2.313900      0.4281000      0.3791000    
 C   -6.124800      1.9000000E-03 -0.3784000    
 C   -1.089400      0.7082000     -0.4936000    
 C   -7.378500     -0.3309000      0.4377000    
 C   0.1861000      0.7874000      0.3459000    
 C   -8.645100     -0.4390000     -0.4149000    
 C    1.403400       1.100300     -0.5212000    
 C   -9.896900     -0.7644000      0.4039000    
 C    2.691900       1.147600      0.2813000    
 C   -11.14590     -0.9450000     -0.4452000    
 C    5.134600       1.536600     -2.2800000E-02
 C    5.848300      0.2160000     -5.3599998E-02
 C    5.782600     -0.6380000       1.047500    
 C    6.576700     -0.1572000      -1.183200    
 C    6.445500      -1.865000       1.018900    
 C    7.239400      -1.384200      -1.211600    
 C    7.173800      -2.238100     -0.1105000    
 H   -3.740900       1.343600     -0.9632000    
 H   -3.497100     -0.3829000      -1.238300    
 H   -4.908900      0.8322000       1.193500    
 H   -4.658700     -0.8895000      0.9224000    
 H   -2.406400       1.206600       1.146000    
 H   -2.179800     -0.5267000      0.9019000    
 H   -6.280300      0.9633000     -0.8843000    
 H   -6.014700     -0.7494000      -1.170900    
 H  -0.9859000     -8.1500001E-02  -1.247600    
 H   -1.232300       1.653000      -1.032300    
 H   -7.218900      -1.278300      0.9670000    
 H   -7.520800      0.4404000       1.204400    
 H   7.6099999E-02   1.560500       1.116700    
 H   0.3398000     -0.1632000      0.8717000    
 H   -8.802100      0.5038000     -0.9531000    
 H   -8.499800      -1.217000      -1.174600    
 H    1.271300       2.069600      -1.016600    
 H    1.514800      0.3356000      -1.299400    
 H   -9.726900      -1.683300      0.9777000    
 H   -10.07310      3.6699999E-02   1.131500    
 H   -11.36890     -3.3700000E-02  -1.009100    
 H   -12.00770      -1.173400      0.1894000    
 H   -11.01860      -1.766800      -1.156900    
 H    3.641300       1.560300      -1.523600    
 H    5.113400       1.935000      0.9985000    
 H    5.660700       2.273100     -0.6407000    
 H    5.221600     -0.3595000       1.935200    
 H    6.634000      0.4984000      -2.048000    
 H    6.395000      -2.529600       1.876400    
 H    7.806200      -1.675200      -2.091100    
 H    7.689900      -3.193400     -0.1327000    


%chk=000054134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054134

0 1
O 2.736474 2.479580 0.639746
N 3.819835 1.139234 -0.924160
C -3.659528 0.465982 -0.626951
C -4.817531 0.105867 0.330662
C -2.295697 0.605832 0.086013
C -6.178402 -0.049478 -0.384848
C -1.138524 0.963920 -0.873457
C -7.336913 -0.411086 0.571813
C 0.221716 1.097029 -0.155199
C -8.695381 -0.579251 -0.145459
C 1.375575 1.441104 -1.126285
C -9.853227 -0.943419 0.811711
C 2.685457 1.734821 -0.387991
C -11.205209 -1.117259 0.086347
C 5.164040 1.342500 -0.357287
C 5.875548 0.034630 -0.028470
C 5.230070 -0.964514 0.745443
C 7.201732 -0.193277 -0.470837
C 5.899491 -2.163968 1.071091
C 7.875832 -1.392933 -0.144157
C 7.225950 -2.382572 0.627459
H -3.898774 1.415362 -1.150514
H -3.581596 -0.311900 -1.415663
H -4.902645 0.888310 1.113708
H -4.573545 -0.838239 0.861633
H -2.371080 1.383839 0.873901
H -2.057422 -0.343578 0.609811
H -6.423033 0.894073 -0.916462
H -6.092206 -0.832455 -1.167546
H -1.068421 0.188983 -1.666185
H -1.374226 1.917727 -1.391025
H -7.088309 -1.350452 1.109155
H -7.428946 0.375531 1.350078
H 0.172924 1.888246 0.616107
H 0.455611 0.152575 0.376698
H -8.946709 0.359606 -0.682353
H -8.604182 -1.365986 -0.923825
H 1.102101 2.355034 -1.691979
H 1.510060 0.630936 -1.870621
H -9.598422 -1.878660 1.351240
H -9.947205 -0.154889 1.586435
H -11.496047 -0.186960 -0.437443
H -12.015436 -1.374114 0.793547
H -11.148428 -1.922929 -0.670000
H 3.724516 0.528856 -1.737534
H 5.003675 1.952022 0.552786
H 5.784462 1.942549 -1.051924
H 4.204509 -0.793702 1.093689
H 7.710382 0.571002 -1.072165
H 5.391815 -2.926128 1.673190
H 8.901998 -1.555236 -0.492861
H 7.745472 -3.313464 0.880839


