%chk=000044079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044079

0 1
 O    1.819300       1.252300       1.159400    
 C   -2.298900      0.1958000     -5.7399999E-02
 C   -1.045400       1.034300     -7.3700003E-02
 C   -1.229700     -4.5800000E-02  0.9675000    
 C  -2.7500000E-02  0.8330000      -1.164800    
 C  -0.3527000      -1.214900      0.8570000    
 C   -2.546000     -0.8339000      -1.109900    
 C   -3.549400      0.8635000      0.4088000    
 C    1.157100     -4.8099998E-02 -0.7312000    
 C   0.7647000      -1.244900      0.1064000    
 C    2.134300      0.7514000      8.1100002E-02
 C    1.655500      -2.450100      4.4399999E-02
 C    3.518800      0.9074000     -0.4874000    
 H   -1.095900       2.063700      0.2607000    
 H   -1.411600      0.2789000       1.986300    
 H   0.3454000       1.819600      -1.470600    
 H  -0.4901000      0.4138000      -2.065000    
 H  -0.6292000      -2.086200       1.444000    
 H   -2.989400     -0.3665000      -1.996600    
 H   -3.256300      -1.584400     -0.7437000    
 H   -1.659400      -1.378800      -1.444800    
 H   -4.245400      0.1298000      0.8297000    
 H   -4.049600       1.368900     -0.4244000    
 H   -3.357800       1.615800       1.182400    
 H    1.658400     -0.3908000      -1.645200    
 H    2.662500      -2.200700      0.3930000    
 H    1.724000      -2.818900     -0.9841000    
 H    1.281800      -3.269700      0.6672000    
 H    3.982900     -7.4900001E-02 -0.6043000    
 H    3.463300       1.417100      -1.452500    
 H    4.129900       1.507000      0.1930000    


%chk=000044079-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044079

0 1
O 1.737105 2.333169 -0.151746
C -2.330389 0.172926 0.014152
C -1.074110 1.028957 -0.277432
C -1.040864 0.011281 0.880209
C -0.146713 0.758857 -1.468852
C -0.126759 -1.155419 0.718334
C -2.752563 -0.940242 -0.940436
C -3.503522 0.891388 0.679724
C 1.183359 0.100054 -1.012609
C 0.920844 -1.153962 -0.158223
C 2.081165 1.127763 -0.269688
C 1.808354 -2.364138 -0.370009
C 3.404419 0.631214 0.302528
H -1.135862 2.082860 0.013396
H -1.120562 0.409397 1.900936
H 0.075829 1.713306 -1.977170
H -0.627300 0.092345 -2.208236
H -0.329053 -2.058451 1.313069
H -3.256678 -0.523312 -1.833947
H -3.467313 -1.621679 -0.440499
H -1.897376 -1.550174 -1.279354
H -4.119694 0.185764 1.270313
H -4.160249 1.360639 -0.078423
H -3.155971 1.689133 1.362074
H 1.768050 -0.214201 -1.906231
H 2.875717 -2.139248 -0.179927
H 1.746123 -2.720615 -1.418331
H 1.515487 -3.199348 0.290378
H 3.212671 -0.074283 1.132434
H 3.988759 0.086817 -0.462250
H 3.990693 1.482902 0.681120


