%chk=000088043.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088043

0 1
 O    2.826100       1.302800      1.0400000E-02
 N   -2.211900       1.922400     -4.1000000E-03
 N    3.174100     -0.9638000     -4.6999999E-03
 C   -1.847800     -0.4906000      1.7000000E-03
 C   -1.342500      0.8094000     -6.0000003E-04
 C   0.9094000     -6.5800004E-02 -1.5000000E-03
 C   3.5999998E-02   1.021900     -2.0999999E-03
 C  -0.9745000      -1.578300      2.3000001E-03
 C   0.4041000      -1.365900      6.0000003E-04
 C   -3.319600     -0.7476000      2.3000001E-03
 C    2.346700      0.1555000     -4.3000001E-03
 H   0.4192000       2.040000     -4.6999999E-03
 H   -1.352100      -2.597600      3.8999999E-03
 H    1.021700      -2.255900      1.6000000E-03
 H   -3.784700     -0.3170000      0.8953000    
 H   -3.784500     -0.3216000     -0.8930000    
 H   -3.545400      -1.819700      5.1000002E-03
 H   -1.827000       2.858000     -2.7000001E-03
 H   -3.214800       1.799800      6.0000003E-04
 H    2.870000      -1.928600     -1.2000000E-02
 H    4.181300     -0.8361000      5.0000002E-04


%chk=000088043-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088043

0 1
O 2.844818 1.365741 0.012394
N -2.192296 1.914667 -0.003455
N 3.285790 -0.900354 -0.007673
C -1.902842 -0.524410 0.001242
C -1.351567 0.800136 -0.001055
C 0.929483 -0.139114 0.000331
C 0.056640 0.969842 -0.001205
C -1.012475 -1.619986 0.003661
C 0.388117 -1.451888 0.003353
C -3.404748 -0.725338 0.001422
C 2.406168 0.171684 -0.000854
H 0.508205 1.968929 -0.002684
H -1.432454 -2.633458 0.006249
H 1.024219 -2.343755 0.007356
H -3.880458 -0.268643 0.893454
H -3.880017 -0.272670 -0.892876
H -3.662834 -1.797318 0.003861
H -1.800481 2.851723 -0.004386
H -3.201999 1.815124 -0.001940
H 2.979778 -1.869145 -0.018305
H 4.282752 -0.690466 -0.004289


