%chk=000107904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107904

0 1
 O  -0.1476000       3.301200      -1.788300    
 O   0.4313000       3.153700       1.919300    
 O   -1.855800      -2.431500     -0.5308000    
 O    1.919800      -2.265700      0.9563000    
 O   -2.969900      -3.265000       1.260800    
 O    2.223600      -3.174100      -1.100000    
 N   -5.277200      -2.128300      0.3042000    
 N    4.905400      -2.627200     -0.9013000    
 C  -0.6096000       1.560100     -0.1966000    
 C   0.7800000       1.499800      0.2102000    
 C   -2.861400      0.7635000      2.2299999E-02
 C    2.986800      0.5596000     -7.7900000E-02
 C   -3.862000     -0.1604000      0.6776000    
 C    3.912800     -0.3690000     -0.7880000    
 C   -1.532800      0.7078000      0.4090000    
 C    1.645800      0.6316000     -0.4549000    
 C   -4.008700      -1.500900     -5.9099998E-02
 C    3.980800      -1.776400     -0.1556000    
 C   -1.028400       2.456100      -1.180400    
 C    1.255200       2.295800       1.252500    
 C   -3.293400       1.647300     -0.9525000    
 C    3.462100       1.355800      0.9642000    
 C   -2.370300       2.499600      -1.558300    
 C    2.596200       2.223900       1.629500    
 C   -2.913900      -2.483600      0.3196000    
 C    2.631400      -2.473800     -0.1820000    
 H   -3.578500     -0.3214000       1.726900    
 H   -4.827800      0.3631000      0.7146000    
 H    3.602200     -0.4452000      -1.839800    
 H    4.919400      7.0299998E-02 -0.8153000    
 H   -1.213700      8.2999999E-03   1.178400    
 H    1.278400      1.1800000E-02  -1.270500    
 H   -4.004600      -1.371000      -1.147500    
 H    4.329400      -1.719100      0.8820000    
 H   -4.335800       1.686700      -1.255300    
 H    4.504100       1.307100       1.268800    
 H   -2.711300       3.191900      -2.323500    
 H    2.980700       2.837600       2.439800    
 H   -6.049200      -1.523300      2.5699999E-02
 H   -5.343700      -2.213400       1.318300    
 H    4.593500      -2.725100      -1.866600    
 H    4.919000      -3.564200     -0.5008000    
 H  -0.6241000       3.843800      -2.439800    
 H   0.9413000       3.617100       2.605600    
 H   -1.158100      -3.076200     -0.2868000    
 H    1.054200      -2.726500      0.9359000    


%chk=000107904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107904

0 1
O -0.415061 3.950621 -1.334827
O 0.847982 3.820599 1.479087
O -1.350611 -2.216178 -1.399414
O 1.079562 -2.504370 1.217995
O -1.439786 -2.509617 0.893627
O 1.149421 -2.523719 -1.096093
N -4.252874 -2.904276 0.223924
N 4.020231 -3.240650 -0.407438
C -0.629439 1.890863 -0.095405
C 0.840588 1.806765 0.148373
C -2.836579 0.753687 0.088463
C 2.910811 0.445380 -0.091832
C -3.651608 -0.439920 0.565905
C 3.599525 -0.805903 -0.620425
C -1.448355 0.832705 0.363487
C 1.541125 0.688407 -0.361375
C -3.457916 -1.767408 -0.265183
C 3.236987 -2.117850 0.142143
C -1.244913 2.931005 -0.841908
C 1.563482 2.740511 0.937375
C -3.419269 1.809962 -0.653755
C 3.603698 1.399111 0.692853
C -2.634787 2.893009 -1.107789
C 2.941222 2.541018 1.194916
C -1.993665 -2.202979 -0.224173
C 1.727580 -2.391432 0.044482
H -3.401447 -0.686557 1.616226
H -4.732874 -0.206743 0.528279
H 3.345089 -0.963711 -1.687291
H 4.697405 -0.710863 -0.550098
H -0.976519 0.056521 0.976801
H 0.989344 0.000735 -1.011050
H -3.713880 -1.580343 -1.321519
H 3.479949 -2.003229 1.211745
H -4.492762 1.792497 -0.878218
H 4.667768 1.253183 0.914181
H -3.102106 3.702494 -1.684637
H 3.493701 3.269113 1.803979
H -5.250134 -2.863954 0.005212
H -4.047243 -3.176386 1.189296
H 3.813040 -3.432870 -1.394249
H 4.003122 -4.089940 0.166458
H -0.949057 4.630586 -1.815937
H 1.451953 4.416748 1.987834
H -0.307478 -2.433408 -1.315636
H 0.020380 -2.601012 1.115515


