%chk=000042587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042587

0 1
 O    3.886100       1.295800      0.5321000    
 O   0.6753000      -4.705200     -0.7252000    
 O   -4.794700       1.499000     -0.1077000    
 O    2.039200       1.251700     -0.8487000    
 O   -2.794200       1.286200      -1.237200    
 N   -1.684700     -4.7899999E-02  0.9469000    
 C   0.5279000     -7.8800000E-02   1.120400    
 C  -0.5956000      0.6863000       1.333000    
 C   0.1063000      -1.327500      0.5840000    
 C   -1.286000      -1.281900      0.4850000    
 C    1.921800      0.3249000       1.400800    
 C   -3.058600      0.4068000       1.013000    
 C   0.7776000      -2.495900      0.1718000    
 C   -2.043500      -2.350400     -7.7999998E-03
 C  -0.7254000       2.056700       1.873100    
 C    4.640000       1.944900     -0.4969000    
 C    2.588000       1.005200      0.2167000    
 C   3.2800000E-02  -3.572600     -0.3231000    
 C   -1.355900      -3.498800     -0.4107000    
 C    3.958200       3.269400     -0.8372000    
 C    6.046100       2.188400      4.6900000E-02
 C    4.687400       1.027000      -1.717700    
 C   -3.494000       1.105000     -0.2500000    
 C   -5.358000       2.181800      -1.232300    
 C    2.096600      -4.718700     -0.6106000    
 C   -6.792800       2.548600     -0.9184000    
 H    1.961000       1.010600       2.254600    
 H    2.519900     -0.5563000       1.661600    
 H   -3.701500     -0.4603000       1.192300    
 H   -3.163100       1.086200       1.864100    
 H    1.857100      -2.498900      0.2590000    
 H   -3.124200      -2.303700     -8.5600004E-02
 H   -1.360100       2.679500       1.234500    
 H   0.2442000       2.559900       1.938800    
 H   -1.155400       2.035500       2.879800    
 H   -1.920400      -4.343400     -0.7990000    
 H    3.666800       3.806200      7.2999999E-02
 H    4.639500       3.915400      -1.403900    
 H    3.062400       3.173700      -1.455900    
 H    6.519100       1.243400      0.3376000    
 H    6.010900       2.807700      0.9506000    
 H    6.687700       2.684800     -0.6884000    
 H    3.761300      0.9929000      -2.296900    
 H    5.462700       1.361000      -2.417600    
 H    4.921300     -3.0000000E-03  -1.424100    
 H   -4.779600       3.090000      -1.435100    
 H   -5.326900       1.526800      -2.110200    
 H    2.560200      -3.960000      -1.250300    
 H    2.418100      -4.636300      0.4332000    
 H    2.440300      -5.693200     -0.9732000    
 H   -7.255200       3.073600      -1.759000    
 H   -7.379800       1.651600     -0.6954000    
 H   -6.841600       3.189000     -3.1500001E-02


%chk=000042587-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042587

0 1
O 3.398391 0.892778 0.312551
O 1.416408 -4.087212 -0.470517
O -4.755058 1.018923 -0.552312
O 2.542753 3.003791 0.896821
O -2.707732 2.109139 -0.824664
N -1.663589 0.269234 1.218644
C 0.567829 0.466837 1.679705
C -0.673075 1.110574 1.773918
C 0.352009 -0.801449 1.010052
C -1.050581 -0.901546 0.732146
C 1.896120 0.994172 2.177938
C -3.079106 0.570075 1.097969
C 1.226956 -1.851423 0.621748
C -1.602907 -2.027913 0.083768
C -1.011018 2.470702 2.311621
C 4.131102 1.373836 -0.943494
C 2.637143 1.766679 1.083010
C 0.669324 -2.974868 -0.022872
C -0.730662 -3.066112 -0.288209
C 5.210802 2.396591 -0.536790
C 4.753707 0.068254 -1.467366
C 3.105538 1.951066 -1.938236
C -3.441994 1.318854 -0.196802
C -5.293449 1.732286 -1.757435
C 2.857570 -4.054433 -0.234989
C -6.736614 1.273836 -1.932779
H 1.752399 1.686528 3.024549
H 2.529057 0.155775 2.517409
H -3.674846 -0.355957 1.152955
H -3.401292 1.206688 1.942697
H 2.301361 -1.756599 0.800208
H -2.672286 -2.106449 -0.140514
H -1.480907 3.098393 1.530996
H -0.092160 2.987531 2.629736
H -1.698458 2.428568 3.180028
H -1.100027 -3.961376 -0.797025
H 5.885620 1.965698 0.224319
H 5.816760 2.663439 -1.422365
H 4.752112 3.312510 -0.132825
H 3.964447 -0.667255 -1.702410
H 5.431954 -0.369161 -0.713986
H 5.332150 0.269446 -2.386889
H 2.654806 2.878578 -1.552476
H 3.611413 2.174467 -2.895562
H 2.302470 1.218810 -2.133437
H -5.208367 2.819600 -1.579827
H -4.654879 1.472317 -2.620495
H 3.333928 -3.197262 -0.752787
H 3.090116 -3.999729 0.847325
H 3.242258 -4.998197 -0.649903
H -7.181121 1.771937 -2.813570
H -6.788327 0.182932 -2.089104
H -7.343449 1.528798 -1.047274


