%chk=000004988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004988

0 1
 O  -0.8808000      -1.522200      0.3826000    
 O   -5.407500       1.797400     -0.1343000    
 O   -5.332800     -0.4215000       1.512700    
 C    1.508700      0.5819000     -0.1849000    
 C    2.712100     -0.4220000     -9.4999999E-02
 C   0.4143000     -7.5000003E-02  -1.133700    
 C    4.058400      0.1249000      0.5043000    
 C  -5.2000000E-03  -1.529100     -0.7627000    
 C    2.242400      -1.758600      0.5047000    
 C    2.012800       1.901800     -0.8350000    
 C    1.206900      -2.415700     -0.4035000    
 C    4.403500       1.485700     -0.1503000    
 C    3.252700       2.482900     -0.1606000    
 C   0.8994000      0.9350000       1.197100    
 C  -0.8340000      0.7707000      -1.250000    
 C    4.074600      0.2543000       2.039300    
 C    5.216800     -0.8451000      0.1428000    
 C  -0.7246000      -2.248900      -1.934700    
 C   -1.965800      0.4580000     -0.5926000    
 C   -2.005100     -0.7174000      0.2743000    
 C   -3.145500       1.297200     -0.7237000    
 C   -3.108900      -1.007800      0.9758000    
 C   -4.269500       1.026900     -4.1800000E-02
 C   -4.323000     -0.1537000      0.8693000    
 H    2.967900     -0.6447000      -1.144800    
 H   0.8550000     -0.1280000      -2.140500    
 H    1.834600      -1.631600       1.511900    
 H    3.078100      -2.458100      0.6042000    
 H    1.223100       2.663000     -0.8239000    
 H    2.250700       1.722200      -1.892100    
 H    1.723500      -2.720300      -1.323800    
 H   0.8619000      -3.337000      8.3800003E-02
 H    4.712200       1.318900      -1.191700    
 H    5.267400       1.940400      0.3515000    
 H    3.565700       3.380500     -0.7077000    
 H    3.024200       2.815100      0.8568000    
 H    1.601400       1.444100       1.853600    
 H   5.8899999E-02   1.630300       1.098100    
 H   0.5357000      6.1200000E-02   1.740500    
 H  -0.7826000       1.650900      -1.885800    
 H    3.736100     -0.6636000       2.529300    
 H    5.093000      0.4489000       2.398700    
 H    3.471100       1.082100       2.408800    
 H    5.237900      -1.060500     -0.9314000    
 H    6.189000     -0.4119000      0.4074000    
 H    5.136900      -1.797500      0.6760000    
 H  -6.9700003E-02  -2.336900      -2.808400    
 H   -1.034600      -3.256200      -1.631800    
 H   -1.636300      -1.737300      -2.257600    
 H   -3.100500       2.157200      -1.385700    
 H   -3.157400      -1.869200       1.632600    
 H   -5.230400       2.524300     -0.7562000    


%chk=000004988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004988

0 1
O -0.916911 -1.578391 0.312484
O -5.436284 1.786692 0.046282
O -5.346186 -0.396349 1.706019
C 1.518982 0.591199 -0.196114
C 2.720645 -0.424692 -0.083903
C 0.449563 -0.084352 -1.180801
C 4.067803 0.123649 0.529928
C 0.051782 -1.557991 -0.858948
C 2.231905 -1.753873 0.540159
C 2.024805 1.901484 -0.878125
C 1.223024 -2.445207 -0.396580
C 4.425479 1.474400 -0.165970
C 3.269162 2.494993 -0.182954
C 0.856259 0.943757 1.163449
C -0.798758 0.755220 -1.315786
C 4.051093 0.303736 2.073984
C 5.210682 -0.880586 0.195890
C -0.667129 -2.228525 -2.052339
C -1.967238 0.455346 -0.647406
C -2.021880 -0.732443 0.227546
C -3.157612 1.293190 -0.713451
C -3.125128 -1.001356 1.005805
C -4.271003 1.024455 0.050430
C -4.320268 -0.153033 0.989300
H 2.989803 -0.655620 -1.143742
H 0.956584 -0.119728 -2.169325
H 1.770394 -1.575983 1.527939
H 3.080618 -2.441748 0.706208
H 1.210473 2.652043 -0.896378
H 2.287768 1.682857 -1.936078
H 1.757836 -2.788250 -1.304740
H 0.789144 -3.343770 0.080933
H 4.721116 1.261645 -1.215756
H 5.315973 1.910270 0.330176
H 3.588370 3.410651 -0.717642
H 3.017590 2.811733 0.847468
H 1.568540 1.429786 1.846887
H 0.020222 1.648046 1.006760
H 0.446232 0.058296 1.674626
H -0.750854 1.665061 -1.927351
H 3.658007 -0.593970 2.584027
H 5.083380 0.466937 2.437648
H 3.450042 1.167715 2.401805
H 5.220302 -1.136215 -0.881109
H 6.191136 -0.432266 0.445436
H 5.123672 -1.820463 0.770660
H 0.007852 -2.275395 -2.925967
H -0.954175 -3.259255 -1.780456
H -1.576391 -1.681347 -2.351179
H -3.130726 2.162851 -1.384753
H -3.144198 -1.877254 1.660326
H -5.358795 2.548051 -0.583422


