%chk=000128826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128826

0 1
 O    1.464200      0.5363000      2.9700000E-02
 O  -0.2399000      0.2379000      -1.535400    
 O    3.323900      -2.937100      -1.131900    
 O   0.4881000      -2.481200      -1.782600    
 O    3.949300      -1.744700       1.444000    
 O   0.7277000       2.861800      -1.334200    
 O    3.913000      0.7200000       2.538900    
 O    3.011000       2.254000       1.114400    
 O   -4.416900      0.3701000       2.544500    
 O   -2.778900       1.518000       1.629800    
 N   -2.882100     -0.3353000     -0.5473000    
 N   -3.589200      -1.789800      0.9491000    
 N   -3.517700      0.4927000       1.664800    
 C    2.413100      -2.146500     -0.3667000    
 C    1.396400      -1.490700      -1.301500    
 C    3.223100      -1.099800      0.3989000    
 C   0.5904000     -0.4137000     -0.5749000    
 C    2.305300     -5.1800001E-02   1.015500    
 C   -1.016700       1.262900     -0.9355000    
 C   -2.496400      0.9399000      -1.151700    
 C    3.090800       1.109100       1.534100    
 C  -0.6469000       2.592000      -1.587100    
 C   -3.336500     -0.5209000      0.7169000    
 C   -2.834100      -1.537000      -1.173000    
 C   -3.277500      -2.428900     -0.2249000    
 C    1.136300       4.083000      -1.933600    
 H    1.909400      -2.834500      0.3237000    
 H    1.900900      -1.064200      -2.177400    
 H    3.955800     -0.6398000     -0.2769000    
 H  -5.2099999E-02 -0.8717000      0.1893000    
 H    1.694900     -0.4463000       1.837300    
 H  -0.8082000       1.338100      0.1380000    
 H   -3.163800       1.724700     -0.7826000    
 H   -2.703500      0.8327000      -2.224900    
 H    3.961100      -3.330100     -0.5110000    
 H    1.015900      -3.171000      -2.220100    
 H   -1.261900       3.401200      -1.176800    
 H  -0.8004000       2.535500      -2.671600    
 H    4.556400      -1.092100       1.831300    
 H   -2.504100      -1.664000      -2.194700    
 H    4.439800       1.468400       2.892100    
 H   -3.387800      -3.498500     -0.3280000    
 H    1.018100       4.035900      -3.020500    
 H   0.5622000       4.921300      -1.527400    
 H    2.193600       4.241100      -1.704600    


%chk=000128826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128826

0 1
O 1.956974 0.533410 -0.804515
O -0.317684 -0.028522 -0.861712
O 2.905249 -3.431892 0.152490
O 0.204426 -2.515518 0.429464
O 4.905954 -1.411229 0.541218
O 0.254326 2.498932 0.877335
O 5.517216 0.925291 -0.744888
O 3.889763 2.531222 -1.142548
O -6.832626 0.421408 -1.696247
O -4.993449 1.698908 -2.168585
N -3.320481 -0.240035 -0.915904
N -5.148047 -1.618265 -0.767190
N -5.563859 0.623215 -1.688375
C 2.614475 -2.013010 0.358807
C 1.240929 -1.759854 -0.277072
C 3.707080 -1.114729 -0.242039
C 0.884910 -0.272329 -0.146181
C 3.240252 0.365063 -0.115834
C -1.217400 1.018434 -0.312054
C -2.483084 0.963700 -1.171069
C 4.185834 1.400042 -0.726976
C -0.559968 2.406163 -0.338991
C -4.705535 -0.394362 -1.126436
C -2.882400 -1.457710 -0.398607
C -4.019944 -2.282880 -0.314726
C 1.148247 3.662603 0.849354
H 2.558737 -1.792348 1.448859
H 1.269679 -2.035417 -1.350636
H 3.851983 -1.356750 -1.315349
H 0.808216 0.041613 0.917084
H 3.145040 0.606616 0.970139
H -1.449457 0.774057 0.746020
H -3.106528 1.848318 -0.975732
H -2.209483 0.990319 -2.240909
H 3.810690 -3.610428 0.515741
H 0.517249 -3.455130 0.494822
H -1.331704 3.207232 -0.335101
H 0.072362 2.507927 -1.244707
H 5.645834 -0.854801 0.179396
H -1.837771 -1.658694 -0.163602
H 6.117550 1.625216 -1.120284
H -4.074028 -3.309743 0.037849
H 1.871406 3.582876 0.014261
H 0.571851 4.606739 0.756449
H 1.683318 3.661341 1.812481


