%chk=000099482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099482

0 1
 O  -1.9900000E-02  -3.040200     -6.0000001E-03
 O    1.855100      -1.898600      1.1700000E-02
 O   -4.360100       1.374500     -9.3000000E-03
 O   -4.258800     -0.8184000     -2.1000000E-02
 N    1.885700      0.5989000      2.5699999E-02
 N   0.6034000      -1.953500      3.8000001E-03
 N    3.971900      0.7526000     -0.7353000    
 N   -3.702100      0.3062000     -1.1000000E-02
 C   0.5029000      0.5022000      1.6400000E-02
 C  -0.1372000     -0.7372000      5.7000001E-03
 C  -0.2502000       1.676200      1.8100001E-02
 C   -1.530600     -0.8025000     -3.4000000E-03
 C   -2.283700      0.3717000     -1.8000000E-03
 C   -1.643400       1.611000      8.8999998E-03
 C    2.691500      0.6496000       1.132100    
 C    2.704200      0.6638000      -1.071600    
 C    3.971000      0.7437000      0.6371000    
 H   0.2333000       2.650400      2.6400000E-02
 H   -2.034600      -1.766100     -1.1800000E-02
 H   -2.197600       2.546100      1.0500000E-02
 H    2.302100      0.6158000       2.140700    
 H    2.323700      0.6432000      -2.084500    
 H    4.891300      0.8056000       1.199300    


%chk=000099482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099482

0 1
O 0.024517 -2.916265 1.097559
O 1.634492 -2.208519 -0.363627
O -4.431551 1.368229 -0.331280
O -4.330230 -0.858537 0.169391
N 1.931418 0.649378 0.024623
N 0.558079 -2.033573 0.321597
N 4.000439 1.426621 -0.509735
N -3.783039 0.281953 -0.077743
C 0.524066 0.497680 -0.041499
C -0.158190 -0.736880 0.174278
C -0.266404 1.652425 -0.294234
C -1.563205 -0.811676 0.190112
C -2.300170 0.354283 -0.073908
C -1.666965 1.590077 -0.332464
C 2.831744 0.078116 0.948202
C 2.707342 1.464218 -0.837603
C 4.084734 0.577727 0.615587
H 0.240092 2.613569 -0.421517
H -2.067765 -1.761946 0.383643
H -2.276466 2.476313 -0.526075
H 2.511166 -0.581225 1.749244
H 2.278399 1.982575 -1.691732
H 5.035396 0.390457 1.107882


