%chk=000105733.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105733

1 1
 O   -2.479300      0.4319000      0.5670000    
 O    3.024800      1.7000001E-02  0.7512000    
 N   -1.243700      -2.059100      0.2351000    
 N    1.799500       2.503200       1.082000    
 N    2.393600       3.403200       1.248500    
 C   -2.105400      -4.233600      0.4796000    
 C   -2.804500      -3.557200     -0.6868000    
 C  -0.8397000      -3.398100      0.6573000    
 C   -2.540900      -2.074100     -0.4366000    
 C  -0.4942000     -0.9219000      0.4458000    
 C   -1.114200      0.3168000      0.6106000    
 C   0.8967000      -1.017400      0.4936000    
 C    1.667400      0.1255000      0.7064000    
 C  -0.3434000       1.460100      0.8230000    
 C    1.047400       1.364300      0.8710000    
 C   -3.004100       1.664200      9.2399999E-02
 C   -4.354700       1.404900     -0.5597000    
 C    3.673000     -0.4913000     -0.4130000    
 C    5.072000      0.1025000     -0.4960000    
 C   -4.971300       2.688500      -1.108300    
 C    5.820100     -0.3883000      -1.732100    
 C   -6.299600       2.418600      -1.796800    
 C    7.200500      0.2404000      -1.834200    
 H   -1.888000      -5.289000      0.2933000    
 H   -2.729400      -4.165100       1.378900    
 H   -3.871400      -3.791400     -0.7391000    
 H   -2.338700      -3.866500      -1.630400    
 H  -4.4900000E-02  -3.779600      6.2000002E-03
 H  -0.4993000      -3.422800       1.697900    
 H   -3.331100      -1.700100      0.2229000    
 H   -2.538300      -1.514100      -1.377600    
 H    1.395600      -1.974700      0.3682000    
 H  -0.7918000       2.436400      0.9853000    
 H   -3.122200       2.354000      0.9360000    
 H   -2.351000       2.118500     -0.6642000    
 H   -5.029100      0.9398000      0.1700000    
 H   -4.232600      0.6697000      -1.365200    
 H    3.107800     -0.2300000      -1.317100    
 H    3.729900      -1.583200     -0.3375000    
 H    4.999000       1.197400     -0.5067000    
 H    5.630900     -0.1515000      0.4133000    
 H   -5.125800       3.405100     -0.2933000    
 H   -4.286000       3.155400      -1.825400    
 H    5.921600      -1.479200      -1.697000    
 H    5.248800     -0.1445000      -2.635400    
 H   -6.172500       1.731400      -2.639300    
 H   -6.724100       3.351600      -2.180600    
 H   -7.020200       1.978700      -1.099900    
 H    7.810400     -8.5000005E-03 -0.9599000    
 H    7.719100     -0.1261000      -2.725600    
 H    7.130900       1.330500      -1.905900    


%chk=000105733-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105733

1 1
O -2.591145 0.583188 -0.362774
O 3.034464 0.749760 -0.430040
N -1.122907 -1.832593 -0.423073
N 1.628675 3.010232 -0.447710
N 2.258198 3.999471 -0.458737
C -1.457679 -4.196364 -0.125403
C -2.639626 -3.619387 -0.937447
C -0.364544 -3.120519 -0.285268
C -2.591393 -2.110654 -0.620634
C -0.487687 -0.626078 -0.421682
C -1.206313 0.659327 -0.414753
C 0.951937 -0.586911 -0.410311
C 1.669113 0.611256 -0.421037
C -0.503521 1.858155 -0.427213
C 0.933098 1.856195 -0.434461
C -3.372882 1.852119 -0.311175
C -4.853915 1.483303 -0.241911
C 3.902580 -0.471918 -0.414426
C 5.353671 0.001849 -0.416389
C -5.747504 2.748292 -0.198496
C 6.336102 -1.196988 -0.395640
C -7.248848 2.396594 -0.131432
C 7.808606 -0.734291 -0.400133
H -1.119724 -5.178126 -0.492840
H -1.734964 -4.305150 0.938068
H -3.608709 -4.059967 -0.654452
H -2.488338 -3.791586 -2.018232
H 0.238593 -3.294942 -1.198908
H 0.315201 -3.072706 0.584057
H -3.137373 -1.869169 0.308296
H -2.994879 -1.479463 -1.423806
H 1.505920 -1.524786 -0.423050
H -1.026598 2.815964 -0.415962
H -3.057031 2.423819 0.585540
H -3.148050 2.442829 -1.222853
H -5.038152 0.866604 0.658186
H -5.121488 0.870109 -1.123690
H 3.667976 -1.073479 -1.314934
H 3.663667 -1.053371 0.498100
H 5.537450 0.619245 -1.315499
H 5.531092 0.644654 0.466078
H -5.474545 3.366110 0.680732
H -5.554006 3.370368 -1.095511
H 6.147097 -1.817575 0.503526
H 6.150629 -1.845979 -1.275302
H -7.563023 1.813414 -1.016588
H -7.868266 3.309654 -0.093768
H -7.478664 1.797066 0.768648
H 8.032625 -0.108589 0.483251
H 8.495963 -1.598008 -0.384011
H 8.036718 -0.138682 -1.303035


