%chk=000018973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018973

0 1
 O   0.5088000       1.825400      -1.004300    
 O   -1.429700      7.0600003E-02  0.1007000    
 O   0.5507000       3.092200      0.9174000    
 O   -5.485100     -0.2240000     -8.7899998E-02
 N    3.904400      0.5697000     -0.2984000    
 C    4.476700       1.508900      0.6693000    
 C    4.380200     -0.7888000     -2.6200000E-02
 C    2.450200      0.6217000     -0.2683000    
 C    5.904500       1.874700      0.2719000    
 C    4.213400      -1.666500      -1.264100    
 C    1.939800       1.824100      -1.046000    
 C    6.529900       2.833300       1.273500    
 C    4.680800      -3.089700      -1.000900    
 C   -2.197500       1.199200     -1.2000001E-03
 C   -1.529800       2.423900     -3.6499999E-02
 C   -3.586300       1.160100     -6.9600001E-02
 C   -3.395900      -1.351800      8.4299996E-02
 C   -2.062400      -1.159900      0.1344000    
 C  -7.6200001E-02   2.497700      3.2499999E-02
 C   -4.264500     -0.1445000     -2.8999999E-02
 C   -2.258200       3.609000     -0.1403000    
 C   -4.319900       2.345000     -0.1743000    
 C   -1.104200      -2.268900      0.2392000    
 C   -3.651100       3.569300     -0.2091000    
 C   -4.115100      -2.668600      0.1417000    
 C  -0.5946000      -2.861800     -0.9162000    
 C  -0.7041000      -2.728900       1.493800    
 C   0.3147000      -3.914800     -0.8169000    
 C   0.2054000      -3.781900       1.592900    
 C   0.7148000      -4.374800      0.4375000    
 H    3.906300       2.444000      0.7083000    
 H    4.448000       1.096400       1.686800    
 H    5.444500     -0.8006000      0.2332000    
 H    3.852700      -1.226200      0.8324000    
 H    2.068700      0.6331000      0.7621000    
 H    1.985400     -0.2617000     -0.7206000    
 H    6.548800      0.9925000      0.2046000    
 H    5.905100       2.345800     -0.7190000    
 H    3.172400      -1.716300      -1.597800    
 H    4.794700      -1.249600      -2.095900    
 H    2.225300       1.738400      -2.101000    
 H    2.333100       2.783100     -0.6934000    
 H    5.952500       3.760700       1.343400    
 H    6.579200       2.382400       2.269700    
 H    7.548400       3.091100      0.9666000    
 H    5.737500      -3.110300     -0.7159000    
 H    4.098300      -3.551300     -0.1971000    
 H    4.560700      -3.700900      -1.901000    
 H   -1.752800       4.570900     -0.1703000    
 H   -5.404800       2.335200     -0.2291000    
 H   -4.216200       4.493400     -0.2904000    
 H   -4.791600      -2.693100       1.002700    
 H   -3.442000      -3.525300      0.2334000    
 H   -4.707200      -2.815800     -0.7678000    
 H  -0.8956000      -2.513100      -1.901100    
 H   -1.091600      -2.276400       2.403300    
 H   0.7129000      -4.375200      -1.716300    
 H   0.5178000      -4.139700       2.569600    
 H    1.424100      -5.193500      0.5147000    


%chk=000018973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018973

0 1
O 0.497813 1.215351 -0.774095
O -1.700904 -0.130352 -0.010110
O 0.689902 3.318967 0.206231
O -5.823155 0.014606 0.403498
N 4.134132 0.580490 0.070875
C 4.807359 1.855685 0.437917
C 4.806346 -0.631076 0.603856
C 2.670535 0.604562 0.283957
C 6.044607 2.159549 -0.434058
C 4.583455 -1.885386 -0.268438
C 1.981935 1.191683 -0.963707
C 6.745414 3.469193 -0.011588
C 5.278438 -3.133419 0.318488
C -2.317252 1.113644 0.099892
C -1.501572 2.284178 0.075374
C -3.722275 1.196196 0.280757
C -3.835823 -1.318492 0.091664
C -2.452730 -1.327404 -0.013198
C -0.018620 2.333230 -0.126711
C -4.552158 -0.036318 0.274887
C -2.140988 3.532420 0.271097
C -4.326545 2.467919 0.450042
C -1.532212 -2.476364 -0.179478
C -3.540003 3.631326 0.454202
C -4.704734 -2.552418 -0.010730
C -0.306664 -2.285443 -0.881383
C -1.816807 -3.759287 0.365021
C 0.588034 -3.359100 -1.061992
C -0.913230 -4.828084 0.187331
C 0.287511 -4.637112 -0.533982
H 4.078077 2.679441 0.315755
H 5.103855 1.860849 1.517174
H 5.892510 -0.424945 0.644532
H 4.487812 -0.850790 1.654742
H 2.379401 1.200929 1.178825
H 2.298604 -0.423081 0.442301
H 6.763035 1.318220 -0.372229
H 5.721173 2.216523 -1.490760
H 3.497284 -2.083561 -0.367355
H 4.961505 -1.672930 -1.286502
H 2.139490 0.546077 -1.840702
H 2.336080 2.215914 -1.171186
H 6.060494 4.333939 -0.096620
H 7.090257 3.417660 1.038707
H 7.626528 3.674154 -0.646108
H 6.370780 -2.979075 0.403868
H 4.892530 -3.367254 1.328772
H 5.114041 -4.020931 -0.319218
H -1.507829 4.425472 0.276579
H -5.413391 2.494411 0.579749
H -4.002099 4.613098 0.594655
H -4.878764 -3.015842 0.979354
H -4.273472 -3.314601 -0.680174
H -5.696068 -2.246093 -0.384622
H -0.073268 -1.290121 -1.270912
H -2.722982 -3.917570 0.954684
H 1.518690 -3.202141 -1.619053
H -1.144025 -5.807892 0.619253
H 0.984244 -5.470703 -0.675132


