%chk=000094803.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094803

0 1
 O  -0.5675000       3.066900     -3.3000000E-03
 O   -2.423300       1.894400      2.0600000E-02
 O    3.837900      -1.290500     -8.6000003E-03
 O    3.708200      0.9007000     -2.6200000E-02
 N   -2.449000     -0.5932000      4.0199999E-02
 N   -1.172100       1.969100      9.4999997E-03
 N    3.166300     -0.2308000     -1.1700000E-02
 C   -3.106900      -1.736000      0.6866000    
 C   -3.131700      -1.592700     -0.7915000    
 C   -1.035900     -0.4814000      2.6699999E-02
 C  -0.4121000      0.7662000      1.1000000E-02
 C  -0.2675000      -1.645500      2.9899999E-02
 C   0.9803000      0.8496000     -1.8000000E-03
 C    1.124700      -1.562100      1.7200001E-02
 C    1.748600     -0.3147000      1.3000000E-03
 H   -3.987700      -1.444400       1.242800    
 H   -2.482100      -2.478100       1.156500    
 H   -2.501200      -2.217600      -1.405200    
 H   -4.026500      -1.203800      -1.256400    
 H  -0.6961000      -2.642800      2.3800001E-02
 H    1.471100       1.820000     -1.3900000E-02
 H    1.691800      -2.489600      1.6000001E-02


%chk=000094803-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094803

0 1
O -0.629753 2.806458 -0.903237
O -2.491993 1.722661 -0.163432
O 4.056143 -1.133779 0.355260
O 3.751812 1.034426 -0.302411
N -2.316943 -0.960760 0.371361
N -1.221989 1.763777 -0.419924
N 3.303318 -0.123631 0.055331
C -3.100519 -2.180615 0.095873
C -3.513455 -0.801504 -0.459618
C -0.975242 -0.697742 0.249614
C -0.402339 0.574446 -0.122899
C -0.054710 -1.752490 0.577184
C 0.995370 0.752407 -0.190844
C 1.325440 -1.576838 0.522633
C 1.844917 -0.315273 0.126869
H -3.654978 -2.598511 0.942542
H -2.679845 -2.915548 -0.603027
H -3.370236 -0.617539 -1.530527
H -4.343363 -0.256690 -0.002470
H -0.473219 -2.717396 0.880060
H 1.402815 1.723030 -0.485168
H 2.018069 -2.385191 0.770329


