%chk=000112106.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112106

0 1
 O   0.6872000      -1.254600      4.7499999E-02
 O  -0.1016000      0.9266000     -0.1589000    
 O    4.477300      5.7100002E-02  0.9170000    
 O    4.070600      -2.678300      0.1060000    
 O   8.7000001E-03  -3.863300     -0.4705000    
 O    1.342700       3.232200       1.033900    
 N    2.599500       1.882500     -0.3862000    
 C    2.248900      0.6037000      0.1963000    
 C    3.417700     -0.3771000      6.1999999E-02
 C    3.009400      -1.796400      0.4627000    
 C    1.713600      -2.205200     -0.2426000    
 C   0.9807000      4.6300001E-02 -0.4593000    
 C    1.209800      -3.568700      0.2194000    
 C   -1.329500      0.5774000     -0.6505000    
 C    2.112200       3.087300      8.7700002E-02
 C   -2.417600      0.3447000      0.2049000    
 C   -1.468800      0.4578000      -2.032600    
 C    2.654800       4.261600     -0.6818000    
 C   -3.668200     -1.5200000E-02 -0.3512000    
 C   -2.293700      0.4607000       1.599000    
 C   -2.698800      0.1043000      -2.579400    
 C   -3.792200     -0.1311000      -1.745400    
 C   -4.758100     -0.2484000      0.5031000    
 C   -3.387300      0.2250000       2.432800    
 C   -4.617200     -0.1289000       1.885900    
 H    2.047900      0.7778000       1.262400    
 H    3.817700     -0.3760000     -0.9595000    
 H    2.888000      -1.842500       1.552500    
 H    1.856600      -2.247300      -1.330900    
 H    1.128300     -7.8999996E-03  -1.546000    
 H   0.9896000      -3.572800       1.292000    
 H    1.928000      -4.364000      3.0000000E-03
 H    3.188200       1.884200      -1.214500    
 H    4.146900      5.7399999E-02   1.831500    
 H    3.896300      -3.537400      0.5254000    
 H  -0.6234000      -3.149200     -0.2791000    
 H  -0.6388000      0.6582000      -2.704000    
 H    3.732400       4.343800     -0.5155000    
 H    2.458600       4.132700      -1.750100    
 H    2.168900       5.181000     -0.3434000    
 H   -1.346500      0.7351000       2.058500    
 H   -2.809700      1.6200000E-02  -3.656200    
 H   -4.744400     -0.4052000      -2.194800    
 H   -5.728800     -0.5262000      9.7499996E-02
 H   -3.278200      0.3179000       3.509500    
 H   -5.468000     -0.3122000       2.535700    


%chk=000112106-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112106

0 1
O 0.950536 -1.941658 0.032093
O -0.346291 -0.009103 0.412032
O 4.562370 0.036706 0.780425
O 4.594257 -2.395873 -0.559924
O 0.822096 -4.503247 -1.103866
O 3.984619 2.552411 0.596538
N 1.816672 1.665548 0.436819
C 2.045204 0.205961 0.595711
C 3.384088 -0.342145 0.022774
C 3.389737 -1.888357 0.087348
C 2.174643 -2.500635 -0.619250
C 0.885553 -0.500769 -0.154304
C 2.052204 -4.017940 -0.473488
C -1.557978 -0.228117 -0.301271
C 2.719251 2.702307 0.484422
C -2.689441 0.498437 0.209733
C -1.663084 -1.069916 -1.410901
C 2.123954 4.100731 0.389219
C -3.953895 0.361280 -0.483483
C -2.608259 1.340911 1.366261
C -2.921200 -1.191345 -2.079911
C -4.041936 -0.491415 -1.634115
C -5.088568 1.088141 0.007816
C -3.734681 2.033742 1.818202
C -4.984143 1.909800 1.132131
H 1.983385 -0.073175 1.667189
H 3.471676 -0.024028 -1.042341
H 3.371789 -2.170411 1.163121
H 2.172177 -2.225575 -1.696097
H 0.925921 -0.262006 -1.244707
H 2.090571 -4.292132 0.601831
H 2.885311 -4.505694 -1.000799
H 0.820812 1.910750 0.424335
H 4.597841 1.056236 0.771344
H 5.344453 -1.850413 -0.199033
H 0.062839 -4.044076 -0.659312
H -0.809127 -1.657491 -1.757362
H 2.606441 4.638256 -0.444308
H 1.031622 4.108294 0.237379
H 2.361897 4.654698 1.313707
H -1.657117 1.415140 1.901361
H -2.992229 -1.853025 -2.949474
H -5.002452 -0.590390 -2.151757
H -6.045841 0.984770 -0.516505
H -3.666604 2.670219 2.707205
H -5.859369 2.458200 1.497011


