%chk=000040642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040642

0 1
 O    1.618500       1.018400      0.8823000    
 O  -0.9224000      -1.137600      0.5439000    
 O   0.1485000      -1.541400       2.541200    
 N   -1.185800       3.326800      0.2560000    
 C    4.005300       1.156800     -0.6495000    
 C    3.257700     -0.1171000     -0.4300000    
 C    2.090400     -0.1427000      0.3281000    
 C    1.403700      -1.337500      0.5242000    
 C    3.742000      -1.296100     -0.9967000    
 C    1.888100      -2.516500     -4.2300001E-02
 C    4.067600       1.552100      -2.136200    
 C    5.426700       1.112400     -5.9000000E-02
 C    3.057300      -2.495900     -0.8027000    
 C   0.7143000       1.782800      9.5500000E-02
 C  -0.2450000       2.511300       1.023200    
 C    1.176700      -3.816700      0.1482000    
 C   0.1810000      -1.355000       1.320200    
 C  -0.4666000       4.295000     -0.5712000    
 C   -2.117100       4.011800       1.151700    
 C   -2.188000      -1.130300       1.213100    
 C   -3.272500     -0.8791000      0.2069000    
 C   -3.666000      0.4255000     -7.0200004E-02
 C   -3.874600      -1.953000     -0.4392000    
 C   -4.674300      0.6589000      -1.005300    
 C   -4.882800      -1.719500      -1.374500    
 C   -5.282700     -0.4136000      -1.657600    
 H    3.511400       1.987200     -0.1344000    
 H    4.650200      -1.305400      -1.592800    
 H    4.642800      0.8332000      -2.729400    
 H    4.541300       2.532900      -2.252800    
 H    3.060900       1.612700      -2.564800    
 H    6.059500      0.3760000     -0.5657000    
 H    5.397800      0.8546000       1.005600    
 H    5.913000       2.089400     -0.1549000    
 H    3.448800      -3.405000      -1.251400    
 H    1.323400       2.476500     -0.4898000    
 H   0.1574000       1.145900     -0.6041000    
 H  -0.7870000       1.767900       1.620500    
 H   0.3256000       3.116600       1.740700    
 H    1.114400      -4.068100       1.212100    
 H   0.1669000      -3.766900     -0.2724000    
 H    1.696000      -4.642600     -0.3501000    
 H   -1.168600       5.011600      -1.015400    
 H   0.2734000       4.868600     -1.1000000E-03
 H   2.2299999E-02   3.818300      -1.426500    
 H   -2.663900       3.291200       1.769800    
 H   -1.606400       4.716500       1.818300    
 H   -2.868900       4.563600      0.5763000    
 H   -2.194900     -0.3496000       1.983600    
 H   -2.346900      -2.095300       1.710200    
 H   -3.204900       1.265200      0.4369000    
 H   -3.569200      -2.974100     -0.2280000    
 H   -4.986700       1.675800      -1.224200    
 H   -5.356100      -2.554500      -1.882700    
 H   -6.067900     -0.2317000      -2.385600    


%chk=000040642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040642

0 1
O 1.382493 0.761716 0.865007
O -0.888021 -1.024122 0.535418
O -0.038215 -2.551073 2.081136
N -1.235942 3.363160 0.372392
C 3.937759 1.224961 -0.498754
C 3.261334 -0.146594 -0.434203
C 2.010312 -0.333851 0.212826
C 1.424172 -1.623291 0.344278
C 3.885094 -1.295233 -0.978553
C 2.082736 -2.772797 -0.180839
C 4.108079 1.713340 -1.962016
C 5.303118 1.208777 0.240163
C 3.309045 -2.576416 -0.859648
C 0.534368 1.624514 0.000544
C -0.027529 2.707488 0.932450
C 1.496609 -4.166155 -0.038361
C 0.136686 -1.790774 1.098737
C -0.964014 4.092582 -0.886792
C -1.889500 4.232705 1.376134
C -2.209789 -1.019003 1.264506
C -3.299572 -0.727894 0.262271
C -3.482121 0.585216 -0.246367
C -4.157329 -1.767259 -0.176802
C -4.507781 0.844444 -1.182376
C -5.185905 -1.505526 -1.110249
C -5.363034 -0.196858 -1.615262
H 3.288482 1.941891 0.036492
H 4.849416 -1.188606 -1.489636
H 4.770711 1.037436 -2.534326
H 4.559091 2.723012 -1.982722
H 3.137633 1.754991 -2.490020
H 6.014515 0.513328 -0.242985
H 5.180816 0.893277 1.291503
H 5.757969 2.216943 0.230727
H 3.822392 -3.444822 -1.287832
H 1.153964 2.044631 -0.817179
H -0.284057 1.016993 -0.423144
H -0.312976 2.207113 1.875983
H 0.775032 3.447729 1.181068
H 1.426622 -4.459461 1.023788
H 0.471736 -4.221765 -0.450664
H 2.118198 -4.906240 -0.569658
H -1.898732 4.552874 -1.252993
H -0.201710 4.903611 -0.765481
H -0.605946 3.395290 -1.663153
H -2.142248 3.640505 2.273411
H -1.250646 5.092966 1.698815
H -2.827138 4.641242 0.958949
H -2.125796 -0.231973 2.035894
H -2.331872 -1.996582 1.761119
H -2.818673 1.403323 0.072362
H -4.018540 -2.783313 0.212899
H -4.641755 1.859980 -1.572362
H -5.845322 -2.316055 -1.440276
H -6.160518 0.009925 -2.338220


