%chk=000097094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097094

0 1
 O    2.023500     -0.5135000     -0.9506000    
 O    1.170400       2.258000       1.173400    
 O    3.357400       2.180100     -0.4379000    
 O    3.869800      -2.546500     -0.3839000    
 O   -4.638600      -1.300100      0.3904000    
 N  -0.1916000     -0.3074000     -0.1253000    
 N   -1.798400       1.447200     -0.5325000    
 N   -4.111900      0.8631000     -0.2448000    
 C    1.059900      0.3988000     -0.3901000    
 C    1.710600      0.9931000      0.8497000    
 C    3.164400       1.059300      0.4249000    
 C    3.324000     -0.2210000     -0.3889000    
 C    3.760700      -1.410200      0.4553000    
 C   -1.451700      0.1962000     -0.2000000    
 C  -0.2934000      -1.630300      0.2520000    
 C   -2.371300     -0.7703000      0.1205000    
 C   -1.633200      -1.941600      0.4106000    
 C   -3.796700     -0.4555000      0.1080000    
 C   -3.153800       1.700500     -0.5309000    
 H   0.8469000       1.157100      -1.152900    
 H    1.596500      0.3309000       1.715700    
 H    3.858300       1.159100       1.264300    
 H    4.008700     -9.3900003E-02  -1.235100    
 H    3.036700      -1.645700       1.241500    
 H    4.735400      -1.228200      0.9174000    
 H   0.5871000      -2.244200      0.3844000    
 H    1.319500       2.851100      0.4175000    
 H    4.285500       2.166000     -0.7281000    
 H   -2.021700      -2.906700      0.7044000    
 H   -1.132400       2.176500     -0.7655000    
 H    2.999000      -2.695100     -0.7909000    
 H   -3.390800       2.739700     -0.8087000    


%chk=000097094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097094

0 1
O 2.174098 -0.825108 -0.840720
O 0.976444 2.519703 0.117863
O 3.354492 2.133483 -0.847995
O 3.871555 -2.574832 0.636930
O -4.728880 -1.287348 0.381478
N -0.163305 -0.517405 -0.473595
N -1.599497 1.435626 0.162215
N -3.931903 0.930009 0.583528
C 1.099265 0.169463 -0.777710
C 1.524559 1.188865 0.326126
C 3.070284 1.168989 0.228805
C 3.395948 -0.287612 -0.149411
C 3.688177 -1.192878 1.061491
C -1.362173 0.096158 -0.115875
C -0.437166 -1.895310 -0.694181
C -2.386754 -0.872084 -0.068505
C -1.784286 -2.130026 -0.436579
C -3.755384 -0.485411 0.303317
C -2.916076 1.766386 0.503973
H 1.030008 0.686245 -1.757865
H 1.183244 0.842029 1.315078
H 3.556546 1.482049 1.172429
H 4.223618 -0.360808 -0.877789
H 2.873270 -1.105656 1.812982
H 4.643906 -0.904445 1.533353
H 0.361921 -2.558834 -1.010469
H 1.605519 2.993665 -0.495780
H 4.321168 2.319073 -0.922503
H -2.299916 -3.085587 -0.496818
H -0.841482 2.140183 0.130728
H 3.058251 -2.852248 0.140637
H -3.076651 2.830168 0.718764


