%chk=000035894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035894

0 1
 O  -0.6604000       1.453300      0.4323000    
 O   0.1436000      0.2380000      -1.330200    
 N   -3.925400      0.4343000     -1.2200000E-02
 N    1.437900      0.6664000      0.5728000    
 C   -1.896100       1.616000     -0.2496000    
 C   -2.543400      0.2482000     -0.4599000    
 C   -2.878800       2.402600      0.6143000    
 C   -3.848400       1.348900       1.125500    
 C   -4.576900     -0.8223000      0.3247000    
 C   -4.660700      -1.722200     -0.9057000    
 C   -5.357900      -3.035300     -0.5849000    
 C   0.3084000      0.7288000     -0.2201000    
 C    2.664700      2.3300000E-02  0.2912000    
 C    2.843300      -1.301100      0.6653000    
 C    3.671900      0.7261000     -0.3547000    
 C    4.054200      -1.935700      0.3879000    
 C    4.882800      9.1499999E-02 -0.6322000    
 C    1.770100      -2.073700       1.361500    
 C    3.497400       2.152400     -0.7654000    
 C    5.073800      -1.239400     -0.2608000    
 H   -1.725800       2.150500      -1.192300    
 H   -2.513400     -2.2600001E-02  -1.520600    
 H   -2.035700     -0.5342000      0.1191000    
 H   -3.421100       3.124200     -9.3000000E-03
 H   -2.396800       2.944000       1.434100    
 H   -3.438900      0.8589000       2.018200    
 H   -4.821000       1.784400       1.374400    
 H   -4.049100      -1.342600       1.134600    
 H   -5.594100     -0.6182000      0.6820000    
 H   -5.207100      -1.213900      -1.709600    
 H   -3.664900      -1.966300      -1.291800    
 H   -4.816100      -3.588800      0.1887000    
 H   -6.379400      -2.861100     -0.2318000    
 H   -5.410900      -3.664900      -1.478700    
 H    1.394200       1.136000       1.473800    
 H    4.219900      -2.972300      0.6693000    
 H    5.687700      0.6185000      -1.137700    
 H    2.111600      -3.072100       1.655600    
 H    1.455700      -1.558900       2.275600    
 H   0.9047000      -2.203000      0.7032000    
 H    4.420100       2.573200      -1.179800    
 H    2.723200       2.235700      -1.535100    
 H    3.220600       2.770400      9.5200002E-02
 H    6.016500      -1.733600     -0.4772000    


%chk=000035894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035894

0 1
O -0.669754 1.270456 -0.029738
O 0.425353 -0.064592 -1.639637
N -3.973513 0.330883 -0.140517
N 1.458564 0.616155 0.382946
C -1.883922 1.282270 -0.906619
C -2.674427 -0.048602 -0.764756
C -2.817212 2.371482 -0.339669
C -3.735543 1.586139 0.618594
C -4.646607 -0.743896 0.612379
C -5.093662 -1.916004 -0.286169
C -5.847129 -3.002120 0.510954
C 0.425270 0.535504 -0.536547
C 2.771401 0.051270 0.228624
C 2.944336 -1.344735 -0.001929
C 3.888203 0.928608 0.371899
C 4.268457 -1.836245 -0.126434
C 5.191187 0.390546 0.261064
C 1.770298 -2.297969 -0.087038
C 3.682986 2.411874 0.626422
C 5.384458 -0.983797 0.001623
H -1.542559 1.464728 -1.938135
H -2.827649 -0.542074 -1.739523
H -2.085585 -0.746598 -0.120776
H -3.417394 2.799493 -1.161459
H -2.246403 3.178263 0.147627
H -3.214416 1.408922 1.593513
H -4.690721 2.100445 0.826047
H -3.988942 -1.144155 1.431267
H -5.540047 -0.308187 1.102105
H -5.736072 -1.513856 -1.092673
H -4.209391 -2.367275 -0.777437
H -5.213994 -3.415650 1.318916
H -6.762386 -2.591569 0.978110
H -6.149755 -3.840379 -0.142350
H 1.295977 1.261707 1.159138
H 4.417275 -2.906893 -0.309169
H 6.055090 1.057356 0.364816
H 2.104870 -3.341822 0.037361
H 1.017170 -2.077911 0.692515
H 1.256623 -2.202172 -1.060681
H 4.639151 2.956358 0.553568
H 2.979543 2.853464 -0.103570
H 3.272563 2.612171 1.637222
H 6.398307 -1.388189 -0.092185


