%chk=000005804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005804

0 1
 I  -0.6597000      -1.589100       3.050200    
 I  -0.6450000      -1.569600      -3.052700    
 I   -2.300300       3.534300      7.6000001E-03
 O   -1.698200      -1.824500     -4.4999998E-03
 O    5.838400       2.591300      3.3399999E-02
 O    6.424900      0.3986000     -5.0700001E-02
 O   -5.333300       2.321200     -3.1000001E-03
 C    3.799500     -0.5337000      1.2700000E-02
 C    2.347300     -0.8741000      8.1000002E-03
 C    4.079900      0.9736000      1.8400000E-02
 C    1.671400      -1.029700      -1.202000    
 C    1.665500      -1.037200       1.214000    
 C  -0.3685000      -1.511400     -3.0000001E-04
 C   0.3076000      -1.356000       1.209700    
 C   0.3134000      -1.348300      -1.206200    
 C   -2.600900     -0.7775000     -3.8999999E-03
 C    5.560700       1.265100     -1.3100000E-02
 C   -2.128100      0.5236000      5.0000002E-04
 C   -3.957000      -1.055100     -8.1000002E-03
 C   -3.039500       1.579500      7.9999998E-04
 C   -4.868400      1.0000000E-03 -7.7999998E-03
 C   -4.409600       1.318200     -3.1999999E-03
 H    4.282200      -1.002100      0.8813000    
 H    4.283000     -0.9969000     -0.8583000    
 H    3.621300       1.445100     -0.8581000    
 H    3.658800       1.428700      0.9221000    
 H    2.212700     -0.8980000      -2.136300    
 H    2.202300     -0.9114000       2.151700    
 H   -1.074200      0.7788000      3.8999999E-03
 H   -4.315600      -2.080000     -1.1700000E-02
 H   -5.934300     -0.2106000     -1.1100000E-02
 H    6.804000       2.763900      2.5100000E-02
 H   -4.859100       3.170600      3.0000001E-04


%chk=000005804-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005804

0 1
I -0.643527 -1.472405 3.080602
I -0.636221 -1.457077 -3.083292
I -2.885302 3.795890 0.001094
O -1.692382 -1.670737 -0.002923
O 6.045345 2.515089 0.041401
O 6.722829 0.294472 -0.028289
O -5.813330 2.180093 -0.002127
C 4.000025 -0.664374 0.006142
C 2.501833 -0.926352 0.003716
C 4.308347 0.852817 0.015581
C 1.790857 -1.035428 -1.217287
C 1.788010 -1.042004 1.222425
C -0.324377 -1.350400 -0.000694
C 0.393907 -1.252399 1.219199
C 0.396762 -1.245996 -1.218387
C -2.661997 -0.627367 -0.002448
C 5.798805 1.136230 0.006930
C -2.324849 0.741445 -0.001086
C -4.009720 -1.048044 -0.003602
C -3.368371 1.690841 -0.000949
C -5.032499 -0.087015 -0.003444
C -4.730534 1.298785 -0.002145
H 4.473517 -1.131262 0.888080
H 4.475383 -1.120339 -0.880355
H 3.856328 1.356430 -0.860361
H 3.866728 1.345350 0.902681
H 2.330277 -0.969868 -2.167193
H 2.325169 -0.981418 2.173943
H -1.279756 1.060644 -0.000159
H -4.236491 -2.117384 -0.004590
H -6.086184 -0.379364 -0.004302
H 7.028076 2.676282 0.031726
H -5.495456 3.123164 -0.001189


