%chk=000112386.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112386

1 1
 O   -1.579200      -2.049000     -0.3051000    
 O   -4.902200       2.099400      0.2375000    
 N    6.885300      4.6399999E-02  0.1156000    
 N   0.5155000     -0.5136000     -0.5614000    
 N   -2.976800       3.846900      1.3100000E-02
 C    6.025100     -0.9628000      0.7932000    
 C    8.352000     -0.1321000      0.5247000    
 C    6.789600     -9.8300003E-02  -1.407700    
 C    6.450200       1.467400      0.4924000    
 C    4.581600     -0.8445000      0.4378000    
 C    4.071600      -1.550000     -0.6519000    
 C    3.741200     -2.9100001E-02   1.195900    
 C   -1.794100      0.3098000     -0.2264000    
 C    1.876600     -0.6245000     -0.2267000    
 C  -0.4240000      0.5320000     -0.4094000    
 C   -2.662500       1.394200     -8.3999999E-02
 C    2.721300      -1.440100     -0.9838000    
 C    2.390800      8.0799997E-02  0.8642000    
 C   -3.757800      -1.293700      7.6000001E-03
 C   -2.310000      -1.073600     -0.1856000    
 C   -4.626300     -0.2094000      0.1498000    
 C   -4.110300       1.174100      0.1089000    
 C   -2.160700       2.700600     -0.1240000    
 C   7.1900003E-02   1.835500     -0.4489000    
 C  -0.7946000       2.917400     -0.3064000    
 C   -4.259500      -2.600200      4.7699999E-02
 C   -5.996500     -0.4316000      0.3320000    
 C   -5.625800      -2.817000      0.2295000    
 C   -6.492300      -1.735000      0.3714000    
 H    6.164700     -0.8523000       1.876900    
 H    6.404900      -1.959700      0.5325000    
 H    8.667100      -1.138400      0.2338000    
 H    8.954700      0.6225000      1.0800000E-02
 H    8.421400     -5.2999998E-03   1.609000    
 H    7.539400      0.5612000      -1.856900    
 H    7.002300      -1.138000      -1.672500    
 H    5.798900      0.2123000      -1.748200    
 H    5.478700       1.688800      4.4199999E-02
 H    6.421000       1.544500       1.583100    
 H    7.191500       2.165200      8.9400001E-02
 H    4.709900      -2.197800      -1.246800    
 H    4.118900      0.5147000       2.057500    
 H    2.336200      -1.996200      -1.834900    
 H    1.755800      0.7014000       1.490700    
 H   0.1461000      -1.327200      -1.044200    
 H    1.123700       2.047500     -0.6204000    
 H  -0.3901000       3.926000     -0.3466000    
 H   -3.606900      -3.462300     -6.0199998E-02
 H   -6.694900      0.3932000      0.4452000    
 H   -6.014400      -3.830800      0.2604000    
 H   -7.555500      -1.906700      0.5127000    
 H   -2.561400       4.768500     -2.4100000E-02
 H   -3.974000       3.759400      0.1470000    


%chk=000112386-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112386

1 1
O -1.438361 -1.930588 -0.474225
O -5.215889 2.033934 0.271528
N 7.104697 -0.092130 -0.094020
N 0.464497 -0.262298 -0.233116
N -3.376524 3.847582 0.352420
C 6.082960 -0.784774 0.933443
C 8.522014 -0.385187 0.381363
C 6.905203 -0.661805 -1.491237
C 6.873457 1.411504 -0.121348
C 4.634211 -0.602885 0.607378
C 3.933756 -1.553019 -0.194660
C 3.883735 0.472701 1.161798
C -1.878766 0.424847 -0.080416
C 1.825149 -0.295169 0.052179
C -0.481246 0.763662 -0.085202
C -2.874352 1.458360 0.071578
C 2.570495 -1.403276 -0.471396
C 2.514548 0.634445 0.896366
C -3.739310 -1.318599 -0.195405
C -2.301709 -0.984276 -0.255728
C -4.714958 -0.296722 -0.011938
C -4.308581 1.125557 0.116187
C -2.466701 2.835989 0.189280
C -0.108623 2.145872 -0.025817
C -1.065265 3.143733 0.104469
C -4.150061 -2.670839 -0.326908
C -6.089057 -0.638414 0.039822
C -5.516860 -3.001734 -0.271876
C -6.488596 -1.983064 -0.087657
H 6.355700 -0.339171 1.906137
H 6.388372 -1.845673 0.922278
H 8.680275 -1.474537 0.397638
H 9.243466 0.084114 -0.305689
H 8.655889 0.023020 1.395078
H 7.615819 -0.179150 -2.180486
H 7.087987 -1.747167 -1.466124
H 5.872141 -0.466882 -1.812074
H 5.836671 1.605705 -0.430712
H 7.043739 1.819780 0.886871
H 7.576743 1.870368 -0.833935
H 4.460292 -2.431041 -0.590357
H 4.369578 1.176739 1.850453
H 2.049804 -2.146913 -1.084418
H 1.965840 1.431027 1.403565
H -0.021242 -1.175188 -0.471118
H 0.939658 2.430862 -0.141195
H -0.753528 4.194466 0.128700
H -3.382135 -3.436416 -0.470134
H -6.817356 0.165864 0.179160
H -5.832443 -4.045330 -0.371600
H -7.551173 -2.243977 -0.045912
H -3.071622 4.816420 0.426299
H -4.374236 3.570172 0.389113


