%chk=000044485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044485

0 1
 O    3.005200      -1.403500      4.6999999E-03
 O    4.492200      0.8377000      6.2000002E-03
 N   0.2419000      0.9135000     -1.2000001E-03
 N    3.091300      0.8999000     -4.6999999E-03
 C   -1.107900      0.6425000     -1.9999999E-04
 C   -1.248200     -0.7470000     -5.0000002E-04
 C   0.9578000     -0.2535000     -2.0999999E-03
 C   6.3400000E-02  -1.299000     -1.6000000E-03
 C   -2.204200       1.512300      8.9999998E-04
 C   -2.545100      -1.297700       0.000000    
 C   -3.480800      0.9432000      1.9000000E-03
 C   -3.651100     -0.4399000      1.5000000E-03
 C    2.385400     -0.3087000     -4.8000002E-03
 H   0.6362000       1.843800     -3.9999999E-04
 H   0.3176000      -2.350800     -2.4000001E-03
 H   -2.072700       2.589000      1.1000000E-03
 H   -2.692100      -2.373900     -3.0000001E-04
 H   -4.353800       1.590900      2.9000000E-03
 H   -4.653900     -0.8591000      2.2000000E-03
 H    2.690200       1.826200     -9.3900003E-02
 H    4.658500      0.8988000      0.9621000    


%chk=000044485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044485

0 1
O 3.151336 -1.141687 0.688603
O 4.517801 0.983723 -0.034431
N 0.207352 1.040205 0.205075
N 3.075171 1.029268 -0.061083
C -1.148852 0.712711 0.097618
C -1.239941 -0.724493 -0.000156
C 0.967193 -0.152890 0.205629
C 0.103429 -1.244261 0.076595
C -2.290654 1.544614 0.084222
C -2.520690 -1.327718 -0.135615
C -3.545008 0.916895 -0.044278
C -3.659031 -0.502982 -0.155782
C 2.431033 -0.160293 0.289139
H 0.569653 1.956258 0.465757
H 0.423338 -2.283040 0.027374
H -2.211887 2.634195 0.165063
H -2.616186 -2.415610 -0.218553
H -4.453094 1.529518 -0.061653
H -4.653847 -0.949865 -0.257088
H 2.750397 1.676034 -0.783627
H 4.672389 0.044118 0.318590


