%chk=000064807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064807

0 1
 O    5.489500     -0.3430000      0.2084000    
 O    3.771100      -1.068100       1.542900    
 N    1.374500     -0.2312000      0.4300000    
 C   -5.200700      0.9677000      0.5138000    
 C   -4.072700      9.7900003E-02  7.1800001E-02
 C   -5.239000       1.098100       2.068100    
 C   -6.575200      0.3879000      5.6499999E-02
 C   -5.168000       2.436000     -2.6400000E-02
 C  -0.8348000      -2.398200      -1.198400    
 C   -1.977000      -1.517300     -0.7498000    
 C   0.3667000      -2.346100     -0.2429000    
 C   -4.007300      -1.229500      0.4957000    
 C   -3.082900      0.6120000     -0.7660000    
 C   -2.952000      -2.042500      8.2099997E-02
 C   -2.027800     -0.2012000      -1.179600    
 C    1.268700      -3.561000     -0.4390000    
 C    1.183800      -1.101000     -0.5080000    
 C    2.130800      0.8966000      7.1099997E-02
 C    3.516600      0.9001000      0.2127000    
 C    1.473500       2.017500     -0.4311000    
 C    4.248900       2.030600     -0.1499000    
 C    2.205800       3.147800     -0.7938000    
 C    3.593500       3.154400     -0.6532000    
 C    4.227300     -0.2594000      0.7354000    
 C    6.286900      -1.448000      0.6494000    
 H   -6.050200       1.760000       2.393000    
 H   -5.397000      0.1301000       2.556100    
 H   -4.296200       1.509700       2.447400    
 H   -6.768400     -0.5986000      0.4919000    
 H   -7.403000       1.041100      0.3560000    
 H   -6.608800      0.2804000      -1.034100    
 H   -6.026800       3.011100      0.3409000    
 H   -4.265200       2.964600      0.3015000    
 H   -5.209900       2.462200      -1.121500    
 H   -1.207100      -3.428700      -1.276500    
 H  -0.5371000      -2.118800      -2.218100    
 H   2.8800000E-02  -2.332100      0.8010000    
 H   -4.763900      -1.655400       1.148400    
 H   -3.084400       1.635100      -1.125500    
 H   -2.908200      -3.074100      0.4194000    
 H   -1.263800      0.2074000      -1.834700    
 H    1.633200      -3.625300      -1.470400    
 H    2.145300      -3.504200      0.2158000    
 H   0.7329000      -4.487200     -0.2071000    
 H    1.598200     -0.9758000      -1.526200    
 H   0.3925000       2.024200     -0.5425000    
 H    5.329200       2.075100     -3.9299998E-02
 H    1.695400       4.023300      -1.184300    
 H    4.163000       4.036100     -0.9323000    
 H    6.445000      -1.392000       1.730600    
 H    7.256800      -1.388100      0.1486000    
 H    5.807500      -2.392800      0.3760000    


%chk=000064807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064807

0 1
O 5.644925 0.032665 0.885482
O 4.082933 -1.556253 0.212033
N 1.455729 -0.615361 0.196318
C -5.084738 1.223515 0.459080
C -4.040896 0.186796 -0.021085
C -4.586631 1.884076 1.780322
C -6.443236 0.506320 0.724169
C -5.325269 2.345242 -0.583621
C -1.053086 -2.811469 -1.261167
C -2.100743 -1.786627 -0.848954
C 0.295248 -2.665032 -0.490027
C -3.697642 -0.915225 0.811521
C -3.391506 0.271758 -1.278007
C -2.751694 -1.877875 0.409249
C -2.441660 -0.695909 -1.683117
C 1.302060 -3.777082 -0.896786
C 0.937243 -1.322031 -0.755241
C 2.068533 0.641881 0.046399
C 3.478407 0.824477 0.246485
C 1.249996 1.788238 -0.172097
C 4.017071 2.140179 0.238671
C 1.808801 3.079466 -0.189368
C 3.198165 3.263334 0.021845
C 4.368447 -0.350761 0.428393
C 6.604122 -1.077362 1.067995
H -5.331451 2.615485 2.147369
H -4.425721 1.135342 2.576404
H -3.630158 2.414379 1.618631
H -6.346630 -0.279931 1.494155
H -7.197581 1.235393 1.076043
H -6.823462 0.031196 -0.198683
H -6.073740 3.059278 -0.193480
H -4.400246 2.912891 -0.795414
H -5.713219 1.941567 -1.537252
H -1.428421 -3.838509 -1.083155
H -0.852343 -2.731576 -2.348311
H 0.108826 -2.732685 0.597817
H -4.177733 -1.026269 1.791082
H -3.624209 1.095510 -1.959688
H -2.515294 -2.714505 1.079287
H -1.964461 -0.601395 -2.667238
H 1.513243 -3.745808 -1.982876
H 2.256601 -3.646296 -0.359047
H 0.887185 -4.774397 -0.660203
H 1.004980 -1.011136 -1.821414
H 0.172417 1.640074 -0.302091
H 5.092419 2.255636 0.397855
H 1.160260 3.945356 -0.365170
H 3.631640 4.268504 0.013999
H 6.224497 -1.794251 1.815691
H 7.528496 -0.595121 1.416674
H 6.767522 -1.608292 0.114423


