%chk=000034328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034328

0 1
 O   -4.655500      -2.342900      4.5499999E-02
 O   -3.034300      -1.962000      -1.510800    
 N  -0.8071000      2.7400000E-02  0.9866000    
 N    3.617400      0.2864000       3.213600    
 C   -3.634000     -0.2116000      6.8899997E-02
 C   -3.175500     -0.4056000       1.537100    
 C   -2.558300      0.6333000     -0.6607000    
 C   -1.727000     -0.8914000       1.663600    
 C   -1.128000      0.1256000     -0.4400000    
 C   0.5781000     -0.4044000       1.172100    
 C   -5.018400      0.4426000     -7.5199999E-02
 C    1.534400      0.5904000      0.4897000    
 C   -3.715900      -1.584000     -0.5696000    
 C    3.065100      0.2439000      0.6159000    
 C   -5.727200      0.8205000       1.062000    
 C   -5.555700      0.6543000      -1.342000    
 C    3.986500       1.307800     -3.8400002E-02
 C    3.312900      -1.129400     -5.4499999E-02
 C   -6.982700       1.414200      0.9314000    
 C   -6.811200       1.248100      -1.472700    
 C    3.377800      0.2591000       2.077800    
 C   -7.524600       1.628000     -0.3360000    
 C    5.336700       1.143100      8.4200002E-02
 C    3.775100      -2.150700      0.7287000    
 C    3.392800       2.345900     -0.6976000    
 C    3.056200      -1.244900      -1.392600    
 C    6.164900       2.099400     -0.5035000    
 C    3.998800      -3.388000      0.1247000    
 C    4.220900       3.302200      -1.285400    
 C    3.279800      -2.482200      -1.996600    
 C    5.606900       3.178900      -1.188200    
 C    3.751100      -3.553700      -1.238000    
 H   -3.229200      0.5525000       2.073100    
 H   -3.824100      -1.106400       2.078100    
 H   -2.744100      0.6683000      -1.742000    
 H   -2.619300       1.673600     -0.3093000    
 H   -1.633900      -1.911200       1.268500    
 H   -1.480900     -0.9385000       2.731900    
 H  -0.5212000      0.8807000     -0.9453000    
 H  -0.9539000     -0.8252000     -0.9556000    
 H   0.7212000      -1.415200      0.7717000    
 H   0.7975000     -0.4429000       2.245100    
 H    1.340300       1.581800      0.9256000    
 H    1.314400      0.6477000     -0.5776000    
 H   -5.361800      0.6694000       2.070900    
 H   -5.021000      0.3612000      -2.240900    
 H   -4.724500      -3.235900     -0.3546000    
 H   -7.540100       1.707900       1.816100    
 H   -7.234000       1.413300      -2.459400    
 H   -8.502500       2.089300     -0.4376000    
 H    5.787100      0.3085000      0.6109000    
 H    3.982600      -2.075400       1.788400    
 H    2.328000       2.496900     -0.8096000    
 H    2.697200     -0.4231000      -2.002100    
 H    7.244100       2.003000     -0.4286000    
 H    4.365700      -4.222900      0.7147000    
 H    3.787600       4.143000      -1.819300    
 H    3.088700      -2.611100      -3.058000    
 H    6.251700       3.923300      -1.646000    
 H    3.925600      -4.516900      -1.708400    


%chk=000034328-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034328

0 1
O -4.510708 -2.423560 1.097269
O -3.878148 -2.393400 -1.125571
N -0.819132 -0.063139 0.767777
N 3.532919 -0.135400 3.210382
C -3.743639 -0.279625 0.196287
C -3.160229 -0.033815 1.614925
C -2.701797 0.226281 -0.850074
C -1.750647 -0.635031 1.771610
C -1.296093 -0.356685 -0.608061
C 0.589796 -0.474684 0.989265
C -5.109172 0.425477 -0.035076
C 1.565572 0.580539 0.427602
C -4.013991 -1.778497 -0.043147
C 3.083741 0.208575 0.591361
C -5.737887 1.206982 0.965478
C -5.750311 0.297583 -1.296951
C 4.028048 1.352018 0.108924
C 3.390463 -1.095080 -0.199386
C -6.967008 1.856873 0.707917
C -6.978379 0.942397 -1.553732
C 3.345492 0.009110 2.040832
C -7.592169 1.730058 -0.552052
C 5.430020 1.164423 0.225393
C 3.620431 -2.338018 0.437074
C 3.546804 2.560029 -0.448255
C 3.402335 -1.036476 -1.616679
C 6.330120 2.160160 -0.203531
C 3.854346 -3.503436 -0.329555
C 4.449544 3.558705 -0.885012
C 3.629438 -2.199690 -2.381466
C 5.842301 3.364834 -0.764057
C 3.855939 -3.440636 -1.740356
H -3.082187 1.058708 1.769356
H -3.826903 -0.453782 2.387476
H -3.029739 -0.037004 -1.870328
H -2.659789 1.328335 -0.773620
H -1.807607 -1.752590 1.697559
H -1.366674 -0.396341 2.780230
H -0.595610 0.089816 -1.336893
H -1.309979 -1.459190 -0.804494
H 0.805204 -1.475825 0.544135
H 0.752403 -0.564400 2.079884
H 1.360563 1.536934 0.941136
H 1.376426 0.730742 -0.651401
H -5.279409 1.314021 1.952489
H -5.294825 -0.322146 -2.078326
H -4.733126 -3.365232 0.861487
H -7.435522 2.459488 1.494348
H -7.457047 0.828304 -2.532889
H -8.545341 2.232868 -0.750069
H 5.815318 0.231604 0.654042
H 3.623354 -2.400048 1.531250
H 2.472796 2.741534 -0.545434
H 3.254719 -0.074657 -2.121887
H 7.408887 1.998437 -0.101859
H 4.034429 -4.457582 0.178124
H 4.060082 4.488456 -1.314715
H 3.636881 -2.138090 -3.475433
H 6.539623 4.140608 -1.099015
H 4.036272 -4.343839 -2.333588


