%chk=000054645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054645

0 1
 O    2.880500       2.209800      0.3937000    
 N    5.829400      2.2000000E-03  0.2623000    
 N   -2.594000       1.661800     -0.3303000    
 N   -2.705400     -0.3770000      0.9284000    
 C    6.262200      0.2623000      -1.117900    
 C    6.982400     -0.1602000       1.159000    
 C    7.133300     -0.8781000      -1.647000    
 C    7.876900      -1.314600      0.7043000    
 C    8.331800      -1.128100     -0.7386000    
 C    4.959600       1.078200      0.7369000    
 C    3.701600       1.165600     -0.1123000    
 C    1.528500       2.074700      0.2146000    
 C    1.046500       1.382500     -0.8905000    
 C   0.6529000       2.631300       1.140000    
 C  -0.3295000       1.245200      -1.072900    
 C  -0.7232000       2.493800      0.9576000    
 C   -1.214400       1.800800     -0.1489000    
 C   -3.254500      0.6462000      0.1675000    
 C   -4.724700      0.5087000     -3.2400001E-02
 C   -2.177500      -1.621000      0.5191000    
 C   -5.287500       1.025000      -1.178500    
 C   -5.467200     -0.1301000      0.9358000    
 C   -1.677000      -2.511100       1.468300    
 C   -2.157400      -1.957000     -0.8338000    
 C   -6.663700      0.8963000      -1.366000    
 C   -6.843400     -0.2590000      0.7483000    
 C   -7.441600      0.2542000     -0.4027000    
 C   -1.154800      -3.739600       1.063700    
 C   -1.635500      -3.185700      -1.238300    
 C   -1.134100      -4.076900     -0.2895000    
 H    6.810900       1.210700      -1.187000    
 H    5.417900      0.3160000      -1.809900    
 H    6.634800     -0.3795000       2.175800    
 H    7.572100      0.7647000       1.208300    
 H    7.481300     -0.6405000      -2.658800    
 H    6.534500      -1.794900      -1.721800    
 H    7.329600      -2.261400      0.7956000    
 H    8.751200      -1.386300       1.361000    
 H    9.020300     -0.2763000     -0.7983000    
 H    8.882700      -2.012400      -1.077000    
 H    5.475600       2.047800      0.7422000    
 H    4.658100      0.8907000       1.775900    
 H    3.193100      0.1929000     -7.3299997E-02
 H    3.919300       1.428600      -1.150400    
 H    1.698700      0.9600000      -1.648500    
 H    1.031400       3.171300       2.003200    
 H  -0.7023000      0.7130000      -1.944000    
 H   -1.404900       2.929800       1.683300    
 H   -2.680500     -0.2332000       1.934800    
 H   -4.695400       1.521000      -1.941400    
 H   -5.036300     -0.5248000       1.850400    
 H   -1.686800      -2.260600       2.526000    
 H   -2.542500      -1.282600      -1.593700    
 H   -7.129400       1.294400      -2.262700    
 H   -7.450200     -0.7554000       1.500000    
 H   -8.513200      0.1543000     -0.5484000    
 H  -0.7643000      -4.433700       1.802300    
 H   -1.619400      -3.448700      -2.291900    
 H  -0.7276000      -5.033500     -0.6046000    


%chk=000054645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054645

0 1
O 3.170256 1.898929 0.868779
N 6.566022 0.521175 0.161983
N -2.415644 1.409845 0.016704
N -2.696153 -0.862956 0.732573
C 6.944114 0.927385 -1.216652
C 7.763120 0.358283 1.026721
C 7.870578 -0.119335 -1.868110
C 8.716102 -0.707765 0.448681
C 9.127210 -0.350027 -0.998005
C 5.525734 1.395933 0.752316
C 4.129857 0.923642 0.322496
C 1.805507 1.677587 0.624410
C 1.286227 0.583559 -0.112077
C 0.920770 2.649249 1.158509
C -0.109328 0.453675 -0.285431
C -0.463630 2.526704 0.960794
C -1.012251 1.418044 0.251165
C -3.169892 0.332748 0.148019
C -4.614621 0.445286 -0.216240
C -3.051547 -2.212519 0.462298
C -4.993454 1.342144 -1.248886
C -5.620768 -0.268513 0.487196
C -2.657522 -3.208282 1.398759
C -3.732269 -2.607446 -0.721928
C -6.352707 1.510639 -1.584989
C -6.980778 -0.092310 0.154437
C -7.351797 0.791357 -0.886230
C -2.944614 -4.567906 1.159005
C -4.029411 -3.969015 -0.941358
C -3.640352 -4.959068 -0.009098
H 7.463594 1.922920 -1.208257
H 6.025537 1.046893 -1.820345
H 7.424719 0.057007 2.035542
H 8.322310 1.325847 1.136232
H 8.154904 0.221464 -2.882345
H 7.313851 -1.070308 -1.975937
H 8.198310 -1.686435 0.455536
H 9.608184 -0.793909 1.098657
H 9.740617 0.575105 -0.986695
H 9.757612 -1.149516 -1.430971
H 5.651847 2.468362 0.470767
H 5.588006 1.343067 1.854284
H 3.928178 -0.086870 0.728547
H 4.040386 0.888431 -0.782449
H 1.949638 -0.165281 -0.555025
H 1.341817 3.495403 1.710222
H -0.497249 -0.383655 -0.876672
H -1.151757 3.286190 1.344694
H -1.836249 -0.743488 1.279349
H -4.207222 1.906309 -1.760396
H -5.341511 -0.946157 1.299872
H -2.134263 -2.910462 2.315955
H -4.020321 -1.859831 -1.465994
H -6.634340 2.202424 -2.386635
H -7.750190 -0.641847 0.707914
H -8.408283 0.921813 -1.146630
H -2.631058 -5.321103 1.890627
H -4.557707 -4.257629 -1.857096
H -3.869221 -6.014185 -0.191591


