%chk=000099700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099700

0 1
 O    5.076000       2.271600     -0.2046000    
 O   0.1489000      -2.483100       2.261400    
 N    3.285700      0.1093000      0.2656000    
 C  -7.1999999E-03  -1.932300     -0.1349000    
 C    1.385100      -1.272300     -0.4514000    
 C  -0.3905000      -2.906500      -1.325300    
 C    1.998100     -0.4387000      0.6868000    
 C   -1.133500     -0.9140000      0.1290000    
 C   0.2905000      -2.820300       1.089200    
 C  -0.5903000      -2.212300      -2.681400    
 C   -1.620100      -3.789100      -1.049800    
 C    3.118800       1.009400     -0.8840000    
 C    3.936700      0.8227000       1.373200    
 C   -1.098500      0.2801000     -0.5439000    
 C   -2.113100      -1.251700       1.021600    
 C    4.473400       1.577300      -1.297500    
 C    5.271700       1.396300      0.9066000    
 C   -2.117600       1.218600     -0.3142000    
 C   -3.133800     -0.3312000       1.261700    
 C   -3.150600      0.9084000      0.6019000    
 C   -2.134500       2.458000     -0.9745000    
 C   -4.169800       1.847100      0.8315000    
 C   -3.154800       3.378800     -0.7342000    
 C   -4.170400       3.073900      0.1672000    
 H    1.288700     -0.6955000      -1.368400    
 H    2.099800      -2.074900     -0.6896000    
 H   0.4508000      -3.602700      -1.458500    
 H    1.315100      0.3593000       1.000100    
 H    2.169800      -1.081600       1.556400    
 H   0.7466000      -3.801000      0.8630000    
 H   -1.452600      -1.539000      -2.674800    
 H   0.2925000      -1.648200      -2.991600    
 H  -0.7733000      -2.959000      -3.463200    
 H   -1.734500      -4.537400      -1.842500    
 H   -1.529100      -4.334100     -0.1057000    
 H   -2.543900      -3.202800      -1.023700    
 H    2.435700       1.831300     -0.6334000    
 H    2.738800      0.5014000      -1.772400    
 H    4.117700      0.1411000       2.212200    
 H    3.294400       1.638500       1.729800    
 H  -0.3289000      0.5295000      -1.265200    
 H   -2.169300      -2.210500       1.524000    
 H    5.152300      0.7915000      -1.650800    
 H    4.343900       2.294500      -2.114500    
 H    5.728900       1.979100       1.712700    
 H    5.977500      0.6040000      0.6288000    
 H   -3.923000     -0.5944000       1.963200    
 H   -1.350800       2.718200      -1.683000    
 H   -4.973900       1.630000       1.531700    
 H   -3.156000       4.334000      -1.251200    
 H   -4.964400       3.791100      0.3538000    


%chk=000099700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099700

0 1
O 5.262042 2.307217 -0.116164
O 0.026864 -2.646423 2.318477
N 3.285166 0.188058 0.174648
C 0.007338 -1.971678 -0.103111
C 1.400109 -1.334979 -0.470238
C -0.390952 -2.999844 -1.258036
C 2.017160 -0.441195 0.629035
C -1.098996 -0.933064 0.141650
C 0.341269 -2.841055 1.123237
C -0.614021 -2.326080 -2.631186
C -1.620869 -3.862802 -0.887118
C 3.064253 1.335917 -0.745086
C 4.136857 0.619503 1.316594
C -1.094021 0.309366 -0.508070
C -2.219820 -1.240237 0.992855
C 4.413079 1.883061 -1.240673
C 5.473918 1.169429 0.795622
C -2.152830 1.261233 -0.348506
C -3.266907 -0.336738 1.169829
C -3.270076 0.935688 0.511781
C -2.138305 2.532156 -1.014898
C -4.328062 1.889781 0.675012
C -3.182359 3.443148 -0.838955
C -4.287046 3.119564 0.013679
H 1.288208 -0.759800 -1.405639
H 2.118242 -2.146257 -0.700025
H 0.482450 -3.682496 -1.354888
H 1.275914 0.321827 0.967073
H 2.253715 -1.060535 1.514388
H 0.996595 -3.713529 0.848455
H -1.448669 -1.603803 -2.586890
H 0.283535 -1.796399 -2.996957
H -0.871623 -3.094410 -3.383420
H -1.786412 -4.635242 -1.660380
H -1.491126 -4.383339 0.080966
H -2.535868 -3.248024 -0.822869
H 2.497686 2.157698 -0.236938
H 2.472047 1.004564 -1.618725
H 4.327298 -0.252702 1.970249
H 3.633183 1.407948 1.930440
H -0.264065 0.587546 -1.167894
H -2.241437 -2.191248 1.530218
H 4.935722 1.098761 -1.830123
H 4.273554 2.784167 -1.860743
H 6.091766 1.563110 1.619539
H 6.025525 0.363509 0.264821
H -4.104094 -0.594799 1.829374
H -1.291362 2.780931 -1.666269
H -5.171659 1.639767 1.329667
H -3.161126 4.411436 -1.351044
H -5.098792 3.843691 0.144436


