%chk=000148534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148534

0 1
 O    2.099400      0.5476000     -9.9999997E-05
 O    1.413500      -3.419000      5.0000002E-04
 O   -3.400900       2.870000      3.0000000E-03
 O    5.309100       1.935900     -8.9999998E-04
 O    4.621500     -0.1489000     -6.9999998E-04
 N   1.5000000E-03  -1.023700     -2.2000000E-03
 N   -1.457100      0.8818000     -1.3000000E-03
 N   -2.377900      -1.334100     -2.0000001E-03
 N  -0.9289000      -3.168200     -1.4000000E-03
 N   -3.770200      0.5434000      9.9999997E-05
 N    4.365000       1.091400     -3.9999999E-04
 C   0.8901000       1.167700      3.0000001E-04
 C  -0.2497000      0.2950000     -1.6000000E-03
 C    1.047800       2.534000      1.4000000E-03
 C   -1.110200      -1.776800     -2.4999999E-03
 C   -2.474300      5.2000000E-03 -1.7000000E-03
 C    3.039400       1.528600      7.9999998E-04
 C    2.443500       2.768400      1.8000000E-03
 C   0.2750000      -3.875700       0.000000    
 C   -4.139000       1.890200      2.2000000E-03
 C   4.0700000E-02  -5.365500      5.4000001E-03
 C   -5.638300       2.052800     -8.9999998E-04
 H   0.2611000       3.275300      1.6000000E-03
 H    2.946100       3.725300      2.3000001E-03
 H   -1.793600      -3.703800     -6.9999998E-04
 H   -4.512900     -0.1516000     -6.0000003E-04
 H  -0.4986000      -5.651700      0.9128000    
 H   0.9991000      -5.891500     -1.9099999E-02
 H  -0.5434000      -5.653100     -0.8733000    
 H   -6.056600       1.608300     -0.9084000    
 H   -5.895900       3.115200      2.5599999E-02
 H   -6.067100       1.562600      0.8777000    


%chk=000148534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148534

0 1
O 2.364609 0.629549 0.000898
O 1.315588 -3.778918 -0.003673
O -3.391088 2.891089 0.003149
O 5.351727 2.605342 -0.003578
O 5.073386 0.322310 -0.002449
N 0.125699 -1.108433 0.001803
N -1.302450 0.881609 0.001636
N -2.303647 -1.331434 0.002230
N -0.989957 -3.236828 0.001217
N -3.675069 0.541050 0.001586
N 4.623283 1.529133 0.000532
C 1.057758 1.149393 0.001237
C -0.084936 0.242360 0.001760
C 1.093500 2.549111 0.001073
C -1.026727 -1.844313 0.002121
C -2.371720 0.040594 0.002178
C 3.198045 1.745882 0.000683
C 2.470956 2.934563 0.000573
C 0.119293 -4.136692 -0.000142
C -4.138556 1.886905 0.000827
C -0.334479 -5.596004 0.002737
C -5.664264 1.966965 -0.002785
H 0.209891 3.183229 0.001295
H 2.894115 3.935096 0.000322
H -1.927203 -3.651261 0.002033
H -4.381494 -0.201171 0.001160
H -0.917722 -5.829461 0.912787
H 0.555577 -6.240031 -0.022311
H -0.964744 -5.822340 -0.877107
H -6.084694 1.497795 -0.911521
H -5.961681 3.024613 0.019684
H -6.094797 1.455396 0.877745


