%chk=000000861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000861

0 1
 I   0.3799000     -0.6939000      -3.264900    
 I   0.9309000      -2.573100       2.515800    
 I    2.216000       3.296800       1.079400    
 O    1.700500      -1.822400     -0.5354000    
 O   -2.902100       2.188900     -0.5502000    
 O   -5.106100       1.883400     -0.9915000    
 O    5.255500       2.273800      0.4571000    
 N   -5.382800      0.6546000       1.446600    
 C   -3.793600     -0.8287000      0.3110000    
 C   -4.072500      0.6003000      0.8023000    
 C   -2.323400      -1.095500      8.4200002E-02
 C   -1.555000      -1.586200       1.126900    
 C   -1.773100     -0.8430000      -1.161500    
 C   0.3717000      -1.582000     -0.3307000    
 C  -0.4160000      -1.087900      -1.370500    
 C  -0.1978000      -1.831100      0.9180000    
 C   -4.108400       1.600600     -0.3403000    
 C    2.583200     -0.7885000     -0.2835000    
 C    2.092000      0.4278000      0.1587000    
 C    3.937900     -0.9941000     -0.4795000    
 C    2.982900       1.470500      0.4128000    
 C    4.828900      4.8599999E-02 -0.2255000    
 C    4.351400       1.280900      0.2206000    
 H   -4.350200      -1.038400     -0.6129000    
 H   -4.159100      -1.562800       1.042900    
 H   -3.329600      0.9312000       1.537200    
 H   -2.011500      -1.772800       2.095700    
 H   -2.398700     -0.4601000      -1.964000    
 H   -5.392700      3.0500000E-02   2.252900    
 H   -6.096200      0.2978000      0.8112000    
 H    1.038400      0.6252000      0.3231000    
 H    4.311000      -1.952900     -0.8267000    
 H    5.892100     -0.1153000     -0.3801000    
 H   -2.936300       2.842500      -1.281000    
 H    6.150800       1.946000      0.2652000    


%chk=000000861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000861

0 1
I 0.375408 -0.925445 -3.298878
I 0.912467 -2.469833 2.639618
I 2.402618 3.616995 0.735095
O 1.705163 -1.790896 -0.445850
O -2.500764 2.040997 0.430311
O -4.236942 1.861457 -1.103919
O 5.348010 2.473492 0.204818
N -5.676075 0.723806 1.107421
C -3.969366 -0.989146 0.272988
C -4.257030 0.435998 0.907311
C -2.492965 -1.267840 0.064869
C -1.679525 -1.676938 1.151751
C -1.890980 -1.055855 -1.201064
C 0.323857 -1.586954 -0.271374
C -0.500499 -1.218020 -1.364870
C -0.289671 -1.834057 0.983513
C -3.701705 1.509369 -0.028601
C 2.583862 -0.681230 -0.268350
C 2.132572 0.612015 0.074062
C 3.954280 -0.949635 -0.454257
C 3.075706 1.649092 0.225714
C 4.884218 0.094896 -0.298031
C 4.457538 1.404707 0.042130
H -4.522407 -1.042088 -0.682747
H -4.415272 -1.729903 0.963302
H -3.722088 0.504894 1.869773
H -2.132102 -1.869075 2.129749
H -2.510182 -0.760679 -2.054106
H -6.160520 0.139626 1.790193
H -6.201634 0.912062 0.249964
H 1.067663 0.812252 0.218411
H 4.272975 -1.961789 -0.716460
H 5.953229 -0.106766 -0.441677
H -2.153250 2.711875 -0.220531
H 6.281411 2.183317 0.053119


