%chk=000052890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052890

0 1
 O    3.320700      -4.082800     -0.1121000    
 N    3.088700     -0.4401000     -0.4376000    
 N    2.837800       1.536700      0.6747000    
 C    4.102100       1.618400     -0.1300000    
 C    4.339300      0.2129000     -0.7390000    
 C    2.354900      0.3486000      0.4077000    
 C    1.065900     -0.1089000       1.017000    
 C  -0.1204000      0.2691000      0.1356000    
 C    3.896800       2.674200      -1.219200    
 C    5.238900       2.025500      0.8060000    
 C    2.863900      -1.820400     -0.7774000    
 C   -1.463000     -0.1307000      0.7551000    
 C   -2.629700      0.2344000     -0.1663000    
 C   -3.968100     -0.1944000      0.4385000    
 C   -5.179200      0.2263000     -0.3996000    
 C    3.579600      -2.722800      0.2133000    
 C   -6.551400     -0.1002000      0.1978000    
 C   -7.720100      0.3982000     -0.6523000    
 C   -9.056700      5.6000002E-02 -1.2200000E-02
 H    5.175600     -0.3016000     -0.2538000    
 H    4.526400      0.2470000      -1.817300    
 H    1.087900      -1.188100       1.194800    
 H   0.9633000      0.3715000       1.997700    
 H  -1.2300000E-02 -0.2092000     -0.8461000    
 H  -0.1112000       1.351200     -4.7600001E-02
 H    3.059900       2.408700      -1.875100    
 H    4.793100       2.781600      -1.839400    
 H    3.666900       3.652200     -0.7815000    
 H    6.190900       2.087400      0.2680000    
 H    5.355500       1.303600       1.622300    
 H    5.042400       3.001300       1.264200    
 H    3.234900      -2.023700      -1.789900    
 H    1.795400      -2.061100     -0.8144000    
 H   -1.584300      0.3706000       1.722900    
 H   -1.469200      -1.210700      0.9458000    
 H   -2.633800       1.317400     -0.3386000    
 H   -2.499800     -0.2484000      -1.142400    
 H   -3.980700      -1.283800      0.5655000    
 H   -4.066200      0.2416000       1.440500    
 H   -5.125000       1.309400     -0.5689000    
 H   -5.103300     -0.2439000      -1.388300    
 H    4.662700      -2.566500      0.1850000    
 H    3.232700      -2.540900       1.236000    
 H   -6.617500      0.3452000       1.198300    
 H   -6.632000      -1.186200      0.3298000    
 H   -7.649000       1.484300     -0.7814000    
 H   -7.670700     -5.1700000E-02  -1.650500    
 H    3.791200      -4.627100      0.5421000    
 H   -9.148600      0.5185000      0.9757000    
 H   -9.879300      0.4202000     -0.6355000    
 H   -9.171100      -1.026600      0.1027000    


%chk=000052890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052890

0 1
O 2.965913 -4.109399 -0.214253
N 3.064805 -0.382528 -0.466928
N 3.059508 1.585452 0.746086
C 4.304668 1.629473 -0.120338
C 4.376632 0.213634 -0.817699
C 2.436881 0.451184 0.480259
C 1.099167 0.089458 1.081887
C -0.093672 0.379376 0.129357
C 4.119700 2.756105 -1.164681
C 5.533736 1.902497 0.770310
C 2.739672 -1.779499 -0.751140
C -1.451646 0.006324 0.763393
C -2.659778 0.339989 -0.140247
C -4.013846 -0.076039 0.477595
C -5.229460 0.285629 -0.405213
C 3.382498 -2.774526 0.239764
C -6.579456 -0.159821 0.200731
C -7.798005 0.214360 -0.673700
C -9.140803 -0.246261 -0.066391
H 5.217441 -0.393824 -0.420248
H 4.497355 0.292814 -1.915101
H 1.077942 -0.977191 1.382346
H 0.984868 0.693137 1.998681
H 0.035230 -0.175567 -0.822147
H -0.081271 1.455859 -0.130518
H 3.250758 2.543848 -1.813586
H 5.019992 2.857437 -1.800506
H 3.936210 3.716524 -0.652431
H 6.460869 1.943768 0.167091
H 5.644293 1.113046 1.535410
H 5.411287 2.866475 1.294537
H 3.079176 -2.035044 -1.771998
H 1.645413 -1.925313 -0.733013
H -1.561358 0.538173 1.731616
H -1.460673 -1.078432 1.001352
H -2.670184 1.429967 -0.349591
H -2.535298 -0.163585 -1.121938
H -4.009292 -1.170682 0.663699
H -4.127153 0.406612 1.471133
H -5.246843 1.383045 -0.572776
H -5.106714 -0.178890 -1.406315
H 4.488358 -2.672565 0.224473
H 3.021301 -2.566476 1.269593
H -6.699148 0.294761 1.206788
H -6.566462 -1.259053 0.357307
H -7.815288 1.313491 -0.822361
H -7.673545 -0.232858 -1.681270
H 3.349938 -4.801443 0.379620
H -9.302925 0.210064 0.928659
H -9.995380 0.033771 -0.709676
H -9.160616 -1.345077 0.062977


