%chk=000099461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099461

0 1
 O   2.8600000E-02 -0.2877000       1.718400    
 O  -1.9999999E-04  0.8753000      -1.681000    
 O  -0.9824000      -2.299900     -0.2482000    
 O   0.1898000       2.013700       1.126400    
 O    2.877800      -1.088500     -0.4270000    
 O   -4.272200      0.9190000     -0.9715000    
 O   -1.742300       2.072500      -2.613100    
 O   0.6771000      -3.903900     -0.1477000    
 O    1.067700       1.741500       3.245800    
 O    4.580700      0.4727000     -0.4311000    
 N   -2.781700     -5.9599999E-02  0.5247000    
 C  -0.8741000     -4.1800000E-02  -1.026600    
 C   -1.596500      0.6691000      0.1268000    
 C  -6.1600000E-02  -1.246400     -0.5479000    
 C   0.7775000     -0.9646000      0.7065000    
 C  -0.6704000      0.8950000       1.330500    
 C    2.102200     -0.2619000      0.4216000    
 C   -4.019100      0.1320000     -6.3100003E-02
 C  -0.5956000       1.990600      -2.194400    
 C  -0.4230000      -3.473600      0.1713000    
 C    1.009500       2.326000       2.172500    
 C   -5.071900     -0.7710000      0.5217000    
 C   0.3741000       3.133200      -2.173900    
 C   -1.363900      -4.180200       1.099300    
 C    4.107600     -0.5999000     -0.7817000    
 C    1.851100       3.514100       1.817100    
 C    4.811400      -1.575700      -1.675300    
 H   -1.606700     -0.3941000      -1.766100    
 H   -1.948500       1.658300     -0.1833000    
 H   0.5775000      -1.589600      -1.371400    
 H    1.066700      -1.903500       1.186900    
 H   -1.307700       1.157200       2.186000    
 H    1.952200      0.7080000     -5.9900001E-02
 H    2.637700     -8.8799998E-02   1.363100    
 H   -2.676700     -0.7910000       1.222500    
 H   -5.044700     -0.7276000       1.614300    
 H   -4.893600      -1.798600      0.1932000    
 H   -6.061200     -0.4509000      0.1833000    
 H   1.3300000E-02   3.923700      -2.838100    
 H   0.4618000       3.528700      -1.160300    
 H    1.350000       2.805100      -2.541900    
 H   -2.294400      -4.413900      0.5760000    
 H   -1.560600      -3.553900       1.973200    
 H  -0.9077000      -5.115400       1.436200    
 H    2.499000       3.765400       2.661700    
 H    2.478900       3.277600      0.9543000    
 H    1.209300       4.372300       1.602800    
 H    5.789400      -1.173000      -1.953700    
 H    4.960700      -2.520400      -1.146600    
 H    4.226900      -1.731800      -2.585300    


%chk=000099461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099461

0 1
O 0.066830 -0.209199 2.035816
O -0.025100 1.308999 -1.331328
O -0.793447 -2.137124 -0.206239
O 0.164793 2.139883 1.520013
O 3.248606 -0.842030 0.242679
O -4.237143 1.658835 1.036429
O -0.309724 0.282957 -3.411118
O 0.967849 -3.501461 -0.902361
O -0.197095 2.835975 3.732164
O 3.029540 -0.001911 -1.924168
N -2.731230 -0.095188 0.793887
C -0.837002 0.219876 -0.734887
C -1.603978 0.793185 0.473826
C 0.107344 -0.947756 -0.367958
C 0.905536 -0.745186 0.936969
C -0.721138 0.964304 1.732356
C 2.197945 0.087337 0.748673
C -3.996898 0.413864 1.060219
C 0.194104 1.199715 -2.729048
C -0.217820 -3.385966 -0.527705
C 0.354831 3.006577 2.628517
C -5.067960 -0.623412 1.375669
C 1.108520 2.296577 -3.203341
C -1.228319 -4.493842 -0.350445
C 3.532354 -0.829590 -1.129712
C 1.281919 4.133987 2.238311
C 4.466432 -1.959858 -1.482353
H -1.551685 -0.145648 -1.494259
H -2.031276 1.778075 0.216204
H 0.793639 -1.154076 -1.206097
H 1.216264 -1.732284 1.319251
H -1.331419 1.135807 2.633516
H 2.072256 0.938616 0.062392
H 2.558097 0.417455 1.734430
H -2.547661 -1.101046 0.827942
H -4.695059 -1.661890 1.354485
H -5.891310 -0.522515 0.647735
H -5.488565 -0.414308 2.374256
H 0.943051 2.486135 -4.274397
H 0.962974 3.217111 -2.617340
H 2.147041 1.947891 -3.057445
H -2.123609 -4.295200 -0.964239
H -1.551975 -4.548897 0.703827
H -0.781072 -5.453015 -0.647134
H 1.514537 4.746964 3.120756
H 2.210148 3.733782 1.796425
H 0.798438 4.762950 1.470115
H 4.957986 -1.756564 -2.444934
H 5.213406 -2.119534 -0.689142
H 3.867846 -2.885557 -1.574213


