%chk=000049815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049815

0 1
 O  -0.1576000      0.7885000       2.171600    
 N    1.799300       1.782400      0.5109000    
 C   -2.487100      0.8886000     -7.5000003E-02
 C   -1.804900      -1.329500      0.3526000    
 C   -3.690400      0.4111000     -0.6320000    
 C   -3.008200      -1.807000     -0.2044000    
 C   -1.519100      2.5699999E-02  0.4155000    
 C   -2.421500       2.381900     -0.1605000    
 C  -0.9300000      -2.468700      0.7750000    
 C   -4.526300       1.546800      -1.135600    
 C   -3.034500      -3.304000     -0.2002000    
 C   -3.898500       2.734000     -0.3910000    
 C   -1.944700      -3.619900      0.8347000    
 C   -3.965900     -0.9451000     -0.7166000    
 C  -0.2625000      0.5166000      0.9571000    
 C   0.9471000      0.7019000      2.6799999E-02
 C    2.983200       1.924000     -0.3380000    
 C    1.055400       3.042100      0.5598000    
 C    3.761400      0.6381000     -0.4006000    
 C    4.763000      0.3979000      0.5305000    
 C    3.468500     -0.2919000      -1.389100    
 C    5.484900     -0.7942000      0.4723000    
 C    4.190300      -1.484100      -1.447300    
 C    5.198500      -1.735300     -0.5167000    
 H   -2.054900       2.844500      0.7591000    
 H   -1.806300       2.685700      -1.013300    
 H  -0.1637000      -2.656800      1.6000001E-02
 H  -0.4618000      -2.306200       1.749800    
 H   -4.406000       1.650800      -2.218800    
 H   -5.584300       1.432400     -0.8839000    
 H   -4.004300      -3.705200      0.1066000    
 H   -2.764100      -3.687700      -1.189200    
 H   -4.023300       3.678200     -0.9302000    
 H   -4.395900       2.850100      0.5823000    
 H   -2.397900      -3.647100       1.835700    
 H   -1.479200      -4.596000      0.6660000    
 H   -4.880800      -1.312900      -1.165200    
 H   0.5920000      0.8816000     -0.9952000    
 H    1.433900     -0.2762000      7.7900000E-02
 H    3.637100       2.712900      5.6899998E-02
 H    2.712200       2.240200      -1.355300    
 H   0.6190000       3.302400     -0.4114000    
 H    1.722900       3.861800      0.8522000    
 H   0.2636000       3.039100       1.312900    
 H    4.993200       1.122800       1.306300    
 H    2.697100     -0.1050000      -2.131000    
 H    6.269700     -0.9900000       1.197200    
 H    3.969600      -2.215500      -2.219300    
 H    5.760900      -2.663200     -0.5625000    


%chk=000049815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049815

0 1
O -0.032570 0.397325 2.363782
N 1.948168 1.793998 0.901761
C -2.341417 0.742202 -0.397891
C -1.854010 -1.344820 0.765985
C -3.486302 0.133382 -0.981517
C -2.980387 -1.948556 0.148937
C -1.495197 0.004664 0.478962
C -2.273353 2.209545 -0.831879
C -1.139775 -2.357593 1.657830
C -4.243234 1.131052 -1.849020
C -3.103680 -3.407270 0.569497
C -3.719042 2.504444 -1.335384
C -2.200013 -3.487865 1.837696
C -3.803799 -1.217069 -0.732123
C -0.261428 0.578671 1.135364
C 0.746798 1.300502 0.223129
C 3.076898 2.034885 -0.023957
C 1.693269 2.911078 1.830275
C 3.623829 0.750923 -0.645733
C 3.700967 -0.439767 0.121432
C 4.102775 0.740379 -1.978907
C 4.253495 -1.614735 -0.433834
C 4.660632 -0.434064 -2.535791
C 4.738439 -1.615870 -1.763708
H -1.962235 2.894668 -0.022706
H -1.551486 2.335778 -1.665073
H -0.234049 -2.743055 1.144513
H -0.808141 -1.921393 2.612591
H -3.985572 0.988552 -2.918907
H -5.340373 1.032341 -1.764367
H -4.146980 -3.714703 0.766038
H -2.717147 -4.069701 -0.232392
H -3.747309 3.293590 -2.106922
H -4.341828 2.838352 -0.484572
H -2.809434 -3.272899 2.735207
H -1.741568 -4.482855 1.973476
H -4.682562 -1.681248 -1.195912
H 0.209927 2.105092 -0.339077
H 1.048005 0.555855 -0.541308
H 3.878920 2.515192 0.571979
H 2.819755 2.758208 -0.841488
H 1.325145 3.836490 1.317320
H 2.625888 3.163750 2.365319
H 0.947794 2.598086 2.577876
H 3.309417 -0.423893 1.144924
H 4.038939 1.653972 -2.584110
H 4.307890 -2.528714 0.168971
H 5.027447 -0.428400 -3.568709
H 5.167595 -2.527907 -2.194177


