%chk=000040853.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040853

0 1
 O   0.3496000     -0.2586000      -1.713700    
 O  -0.8826000       1.656700      -2.101300    
 N   -3.440600      -1.540300      0.3890000    
 C  -0.4938000      0.8844000      0.1587000    
 C   0.9018000      0.9475000      0.8563000    
 C   -1.280400     -0.3657000      0.5985000    
 C   -1.330200       2.134800      0.5197000    
 C    1.624000       2.291800      0.6207000    
 C  -0.5887000       3.453300      0.2998000    
 C   0.7509000       3.476100       1.022700    
 C  -0.3821000      0.8323000      -1.348300    
 C   -2.676800     -0.3952000     -2.6699999E-02
 C    1.812200     -0.2427000      0.5734000    
 C   -1.380600     -0.4008000       2.121500    
 C    1.629000      -1.432800       1.270500    
 C    2.819100     -0.1305000     -0.3802000    
 C   -2.761600      -2.795600      3.1599998E-02
 C   -4.789000      -1.527200     -0.1993000    
 C    2.461500      -2.521700       1.011600    
 C    3.651400      -1.219500     -0.6391000    
 C   0.5344000     -0.4312000      -3.122300    
 C    3.472600      -2.415100      5.6899998E-02
 H   0.7751000      0.9683000       1.943100    
 H  -0.7384000      -1.252900      0.2624000    
 H   -1.628900       2.118500       1.573400    
 H   -2.252600       2.208400     -6.7199998E-02
 H    1.876500       2.427300     -0.4374000    
 H    2.563800       2.330700       1.185900    
 H   -1.209100       4.279700      0.6675000    
 H  -0.4293000       3.645400     -0.7662000    
 H    1.274100       4.412700      0.7985000    
 H   0.5840000       3.457600       2.106800    
 H   -3.249000      0.4850000      0.2817000    
 H   -2.612000     -0.3647000      -1.121500    
 H  -0.4956000     -0.1747000       2.708100    
 H   -1.680400      -1.404700       2.447500    
 H   -2.169600      0.2667000       2.488000    
 H   0.8913000      -1.554900       2.049800    
 H    2.988900      0.7689000     -0.9605000    
 H   -1.869100      -2.973200      0.6385000    
 H   -2.488200      -2.830300      -1.029500    
 H   -3.415900      -3.651900      0.2359000    
 H   -5.324300     -0.6152000      8.7499999E-02
 H   -5.381100      -2.368600      0.1776000    
 H   -4.760900      -1.583500      -1.293500    
 H    2.329000      -3.449900       1.559900    
 H    4.436300      -1.138500      -1.385500    
 H    1.122400      -1.339400      -3.278900    
 H    1.082900      0.4192000      -3.538100    
 H  -0.4331000     -0.5492000      -3.619300    
 H    4.121500      -3.262600     -0.1440000    


%chk=000040853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040853

0 1
O -0.213479 -0.539621 -1.769592
O 0.118809 1.724676 -2.089566
N -3.332070 -1.746433 0.141497
C -0.486620 0.914447 0.191551
C 0.924216 1.010629 0.949137
C -1.317723 -0.328028 0.702239
C -1.302272 2.233975 0.433648
C 1.642542 2.367470 0.701633
C -0.537490 3.566162 0.267336
C 0.760625 3.568565 1.098094
C -0.181300 0.782141 -1.313677
C -2.709497 -0.407538 0.001848
C 1.866550 -0.170489 0.683796
C -1.547806 -0.390402 2.231625
C 2.004213 -1.217884 1.630785
C 2.666760 -0.231924 -0.489740
C -2.754788 -2.755095 -0.770769
C -4.804611 -1.706024 0.042449
C 2.890334 -2.297256 1.411947
C 3.554742 -1.305374 -0.714002
C 0.153650 -0.741993 -3.188997
C 3.668629 -2.348706 0.234018
H 0.658258 0.994109 2.025015
H -0.745269 -1.229173 0.418466
H -1.688298 2.189000 1.470967
H -2.185439 2.235633 -0.232935
H 1.920387 2.470167 -0.364116
H 2.584810 2.366681 1.283112
H -1.199841 4.397041 0.581724
H -0.291113 3.721403 -0.797537
H 1.316105 4.513184 0.940908
H 0.518390 3.513058 2.180841
H -3.389298 0.323389 0.480660
H -2.622159 -0.114390 -1.074067
H -0.624473 -0.585920 2.802383
H -2.245897 -1.224698 2.425452
H -2.005808 0.533568 2.631949
H 1.420176 -1.187173 2.558255
H 2.607698 0.572165 -1.233087
H -1.658143 -2.782641 -0.665663
H -2.986640 -2.547476 -1.847598
H -3.153472 -3.754638 -0.518971
H -5.212035 -1.009881 0.797176
H -5.217699 -2.711048 0.245988
H -5.176680 -1.383064 -0.964005
H 2.975745 -3.091847 2.162160
H 4.164317 -1.325205 -1.625117
H -0.076478 -1.797637 -3.390568
H 1.229168 -0.540789 -3.329570
H -0.430621 -0.068942 -3.838569
H 4.359295 -3.181976 0.061990


