%chk=000117827.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117827

0 1
 O   0.7380000       2.733500      0.9625000    
 O    1.998200      -1.301300       1.226200    
 O   -1.862800     -0.4445000      -1.228300    
 O    7.253900      -1.085200       1.422500    
 O   -6.145000       2.495700       2.247900    
 O   -4.452600      -4.786000      -1.601000    
 N    1.589000      0.7238000      0.1588000    
 N  -0.6992000       1.235600     -0.1037000    
 N   7.4999998E-03  -1.023100      4.0500000E-02
 N    6.278700     -0.3881000     -0.6048000    
 N   -5.442500       2.305500      8.0000004E-03
 N   -3.286400      -4.576400      0.4344000    
 C   0.5707000       1.677300      0.3454000    
 C    1.285100     -0.6091000      0.4935000    
 C  -0.9524000     -0.1111000     -0.4625000    
 C    2.968400       1.141000     -4.2800002E-02
 C   -1.770800       2.199700     -0.2356000    
 C  -0.3200000      -2.432900      5.8600001E-02
 C    3.967000      0.1848000     -0.2269000    
 C   -3.086900       1.793600     -5.2499998E-02
 C   -1.638800      -2.826800      0.2377000    
 C    3.291800       2.497900     -5.2299999E-02
 C   -1.471000       3.521100     -0.5435000    
 C   0.6901000      -3.371100     -0.1040000    
 C    5.612500       1.942200     -0.4300000    
 C   -3.827200       4.051800     -0.4882000    
 C  -0.9468000      -5.136900      9.2100002E-02
 C    5.289100      0.5854000     -0.4204000    
 C   -4.119200       2.723200     -0.1794000    
 C   -1.953800      -4.185500      0.2546000    
 C    4.613900       2.898500     -0.2460000    
 C   -2.503100       4.450800     -0.6703000    
 C   0.3751000      -4.729800     -8.7200001E-02
 C    7.020900       2.395500     -0.6354000    
 C   -4.915500       5.065200     -0.6293000    
 C   -1.259600      -6.597600      0.1067000    
 C    6.766400     -0.7366000      0.4100000    
 C   -5.793600       2.400900       1.129000    
 C   -3.869400      -4.681100     -0.5844000    
 H    3.748700     -0.8776000     -0.2744000    
 H   -3.339400      0.7756000      0.2319000    
 H   -2.435000      -2.109100      0.4158000    
 H    2.577300       3.305100      2.6000001E-02
 H  -0.4608000       3.863500     -0.7452000    
 H    1.722300      -3.098300     -0.2995000    
 H    4.848900       3.959700     -0.2615000    
 H   -2.259800       5.479900     -0.9213000    
 H    1.169200      -5.458400     -0.2282000    
 H    7.463400       1.910200      -1.511800    
 H    7.076100       3.475600     -0.8105000    
 H    7.627200       2.171300      0.2481000    
 H   -4.542800       6.000400      -1.061600    
 H   -5.704200       4.701000      -1.296100    
 H   -5.347400       5.300800      0.3486000    
 H   -1.871200      -6.857500      0.9773000    
 H   -1.789600      -6.884000     -0.8074000    
 H  -0.3496000      -7.204600      0.1672000    


%chk=000117827-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117827

0 1
O 0.874669 2.869891 -0.240620
O 2.156267 -1.619368 0.250212
O -2.298022 -0.547854 -0.752210
O 8.105561 0.095006 -2.604046
O -6.662615 3.777489 2.373780
O -3.787908 -5.833752 3.502515
N 1.544641 0.635259 0.018695
N -0.730102 1.180487 -0.503848
N -0.075426 -1.109450 -0.255538
N 6.302395 0.740755 -1.110874
N -4.846902 3.482063 0.786313
N -2.367847 -4.936678 1.748774
C 0.584823 1.652801 -0.241445
C 1.275062 -0.761726 0.019850
C -1.122849 -0.186129 -0.521654
C 2.907817 1.061222 0.317805
C -1.758622 2.179406 -0.776761
C -0.412154 -2.529874 -0.264585
C 3.950604 0.703118 -0.553656
C -2.805289 2.354156 0.144451
C -1.225550 -3.049737 0.756791
C 3.164196 1.822013 1.476272
C -1.693185 2.952344 -1.952831
C 0.079046 -3.359903 -1.291243
C 5.567032 1.880674 0.908648
C -3.770999 4.117822 -1.301868
C -1.073247 -5.294933 -0.278726
C 5.276007 1.105508 -0.256520
C -3.811062 3.316102 -0.119005
C -1.559831 -4.426680 0.747660
C 4.486732 2.225404 1.753265
C -2.696346 3.913281 -2.197479
C -0.253279 -4.730552 -1.282737
C 6.986897 2.304626 1.215880
C -4.847622 5.147201 -1.569817
C -1.435795 -6.764258 -0.277361
C 7.198031 0.418560 -1.852537
C -5.750089 3.626771 1.575693
C -3.074433 -5.381100 2.620288
H 3.756058 0.102980 -1.446172
H -2.861257 1.747367 1.052109
H -1.612503 -2.403578 1.549321
H 2.344453 2.106201 2.141826
H -0.867836 2.815712 -2.657246
H 0.718300 -2.946164 -2.076422
H 4.687714 2.821903 2.649555
H -2.646525 4.520103 -3.107814
H 0.131676 -5.380366 -2.075830
H 7.422026 2.890004 0.384438
H 7.028889 2.921988 2.127889
H 7.643879 1.427020 1.365856
H -4.683661 5.652473 -2.535543
H -5.851882 4.684217 -1.590638
H -4.869347 5.920398 -0.778708
H -1.122228 -7.255841 0.662528
H -2.529564 -6.907696 -0.362695
H -0.955795 -7.293185 -1.116688


