%chk=000155377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155377

0 1
 O    2.399800      6.7400001E-02 -0.9492000    
 O    3.795100       2.590100      8.1100002E-02
 O    3.946100      -2.167400     -0.2648000    
 O   -1.150400       2.027900     -0.7555000    
 O   -3.196700      -2.088700      3.9999999E-02
 N   0.1525000      0.1623000     -0.3046000    
 N   -2.215500     -4.3000001E-03 -0.3575000    
 C    1.369700      0.9116000     -0.4162000    
 C    3.363900       1.408100      0.7520000    
 C    1.862500       1.438000      0.9218000    
 C    3.585600      0.1952000     -0.1409000    
 C    3.757000      -1.097200      0.6465000    
 C   -1.070000      0.8240000     -0.4924000    
 C   0.2235000      -1.180900     -1.7100001E-02
 C  -0.8467000      -1.970300      0.1091000    
 C   -3.508900      0.6453000     -0.5438000    
 C   -2.199300      -1.376700     -6.8599999E-02
 C   -4.076500       1.193100      0.7601000    
 C  -0.7557000      -3.430700      0.4216000    
 C   -5.436000       1.853100      0.5785000    
 H    1.242400       1.740800      -1.122300    
 H    3.897200       1.356900       1.705900    
 H    1.569500      0.7710000       1.741500    
 H    1.459500       2.433100       1.135300    
 H    4.426900      0.3293000     -0.8298000    
 H    2.909100      -1.330300       1.294300    
 H    4.648700      -1.038900       1.278900    
 H    1.198300      -1.621200      0.1107000    
 H    4.755100       2.513500     -5.3599998E-02
 H   -4.212100     -8.1000000E-02 -0.9688000    
 H   -3.413800       1.455000      -1.276600    
 H   -4.169200      0.3830000       1.493600    
 H   -3.380100       1.922500       1.190600    
 H    3.183100      -2.182900     -0.8670000    
 H   -1.277200      -3.654500       1.358000    
 H   0.2821000      -3.762900      0.5324000    
 H   -1.209400      -4.022400     -0.3801000    
 H   -6.168100       1.138700      0.1890000    
 H   -5.805300       2.231500       1.536600    
 H   -5.371300       2.694600     -0.1186000    


%chk=000155377-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155377

0 1
O 2.312998 0.187271 -0.898202
O 3.665320 2.696102 0.575499
O 4.120853 -1.920745 -1.178833
O -1.141746 1.983714 -0.694442
O -3.396028 -2.049465 0.145249
N 0.096458 0.116797 0.026860
N -2.260731 -0.044168 -0.304134
C 1.339677 0.901350 -0.026300
C 3.531819 1.271407 0.912097
C 2.064528 1.078334 1.326670
C 3.683955 0.353950 -0.329620
C 4.218966 -1.051990 -0.009482
C -1.111186 0.767295 -0.353163
C 0.125420 -1.227804 0.399795
C -0.997606 -2.012997 0.458512
C -3.552017 0.600562 -0.673810
C -2.296763 -1.419397 0.108064
C -4.226979 1.291449 0.531741
C -0.975212 -3.467397 0.858984
C -5.568858 1.934553 0.123066
H 1.077732 1.870067 -0.480122
H 4.244764 0.992303 1.714984
H 1.948510 0.182301 1.961308
H 1.696210 1.958215 1.875288
H 4.301890 0.821946 -1.119511
H 3.663081 -1.481254 0.854902
H 5.292097 -1.013900 0.247469
H 1.117863 -1.628860 0.620752
H 4.554737 2.867075 0.174344
H -4.203431 -0.197931 -1.066118
H -3.339822 1.338206 -1.465463
H -4.395130 0.542645 1.328355
H -3.545453 2.064883 0.932818
H 3.217257 -1.784495 -1.570334
H -1.616009 -3.639536 1.742589
H 0.049206 -3.806966 1.089944
H -1.385661 -4.100447 0.051797
H -6.273210 1.175674 -0.265867
H -6.048959 2.427707 0.987135
H -5.423140 2.699244 -0.662723


