%chk=000117439.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117439

0 1
 O    2.160800      0.9748000     -0.6217000    
 O    2.052900      -3.287000     -0.7450000    
 O    1.435100      0.3115000       1.453900    
 O   0.5263000      -4.362000      0.5295000    
 O   -4.133000       2.701100      0.1550000    
 N   0.9684000     -0.9235000     -0.4537000    
 C    2.776600       2.122400     -3.5900000E-02
 C   0.2175000      -1.990400      0.1669000    
 C   -1.197900      -2.083200     -0.4176000    
 C   -1.983500     -0.8030000     -0.2650000    
 C    3.816300       1.651300      0.9798000    
 C    3.443100       2.911500      -1.160700    
 C    1.694700       2.962400      0.6416000    
 C    1.512400      0.1353000      0.2424000    
 C   0.9316000      -3.325300      1.4000000E-02
 C   -2.751800     -0.6099000      0.8718000    
 C   -1.921100      0.1555000      -1.263700    
 C   -3.477200      0.5730000       1.013600    
 C   -2.646500       1.338400      -1.121900    
 C   -3.424600       1.547200      1.6799999E-02
 H   0.1650000      -1.791800       1.244500    
 H   -1.148800      -2.351100      -1.482500    
 H   -1.749400      -2.906500      5.6000002E-02
 H    4.418300      0.8301000      0.5736000    
 H    4.498000       2.471100       1.236700    
 H    3.401000       1.307600       1.930500    
 H    2.706400       3.208800      -1.915900    
 H    4.186700       2.295500      -1.679400    
 H    3.939800       3.813200     -0.7880000    
 H    1.340200       2.564400       1.595700    
 H    2.073100       3.967600      0.8625000    
 H   0.8177000       3.069100     -7.7999998E-03
 H    1.132900     -0.9695000      -1.454900    
 H   -2.796900      -1.361800       1.654300    
 H   -1.320800      2.7000001E-03  -2.156000    
 H   -4.081000      0.7302000       1.903200    
 H   -2.597000       2.089300      -1.905800    
 H    2.476600      -4.168700     -0.8182000    
 H   -3.980200       3.260000     -0.6262000    


%chk=000117439-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117439

0 1
O 2.271381 0.904445 -0.525839
O 1.768209 -3.543059 -1.096872
O 1.134639 0.304930 1.475308
O 0.595481 -4.447671 0.695362
O -4.128047 2.726533 0.445432
N 1.101780 -1.025858 -0.456248
C 2.817046 2.214942 0.024479
C 0.258623 -2.069773 0.111085
C -1.177247 -2.126616 -0.539577
C -1.963644 -0.848688 -0.314591
C 3.738886 1.923751 1.225771
C 3.610000 2.756262 -1.177963
C 1.641579 3.142844 0.392420
C 1.469863 0.086936 0.280618
C 0.879340 -3.459831 -0.012365
C -2.688546 -0.648420 0.890414
C -1.972993 0.186716 -1.280275
C -3.400724 0.541468 1.129245
C -2.681906 1.388249 -1.059124
C -3.394919 1.562298 0.150591
H 0.142882 -1.846063 1.186211
H -1.055743 -2.327419 -1.621012
H -1.702692 -2.993031 -0.096066
H 4.528407 1.205758 0.940862
H 4.225651 2.861196 1.552005
H 3.165033 1.510238 2.069800
H 2.945141 2.905048 -2.046399
H 4.408415 2.050934 -1.466508
H 4.072439 3.725120 -0.917838
H 1.065495 2.731850 1.236024
H 2.032851 4.136806 0.677332
H 0.967419 3.270703 -0.473375
H 1.503619 -1.149095 -1.386205
H -2.695378 -1.435312 1.654648
H -1.421769 0.055889 -2.218849
H -3.960581 0.699084 2.055580
H -2.680123 2.177454 -1.822579
H 2.117425 -4.472117 -1.168711
H -4.055592 3.383799 -0.290391


