%chk=000048619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048619

0 1
 O   -3.856400      0.3022000     -4.2199999E-02
 O    5.548400      -2.143200      0.8825000    
 O   -5.106700      -1.220700       1.164800    
 C   0.5620000      0.3997000      -1.025400    
 C    1.487100      0.5687000      0.2116000    
 C  -0.8924000      3.1500001E-02 -0.6516000    
 C   -1.517700      0.9504000      0.4209000    
 C    2.964600      0.9354000     -0.1949000    
 C    3.504900     -0.1203000      -1.216500    
 C   0.8535000       1.557000       1.211000    
 C  -0.5573000       1.132300       1.619700    
 C    1.138100     -0.5943000      -2.046100    
 C   -2.761500      0.1395000      0.8566000    
 C   -1.098200      -1.388400     -9.4899997E-02
 C    2.577400     -0.2682000      -2.433300    
 C   -2.315800      -1.324000      0.8339000    
 C    3.933100      0.9680000       1.025200    
 C   -1.901300       2.321400     -0.1607000    
 C    3.039000       2.349200     -0.8313000    
 C    3.763500      -1.499000     -0.5797000    
 C    4.146600     -0.3808000       1.693700    
 C    4.603500      -1.385400      0.6684000    
 C   -4.963600     -0.4414000      0.2360000    
 C   -5.979800     -0.1431000     -0.7943000    
 C   -7.171100     -0.7466000     -0.7535000    
 H   0.5027000       1.371700      -1.531900    
 H    1.522000     -0.4009000      0.7222000    
 H   -1.496400      0.1024000      -1.568900    
 H    4.476200      0.2373000      -1.588700    
 H   0.8207000       2.567200      0.7915000    
 H    1.457800       1.615900       2.122100    
 H  -0.4750000      0.2024000       2.196400    
 H  -0.9688000       1.875500       2.314800    
 H   0.5185000     -0.5893000      -2.951500    
 H    1.094600      -1.616300      -1.654500    
 H   -3.097200      0.4438000       1.856000    
 H  -0.2304000      -1.747000      0.4681000    
 H   -1.266200      -2.101100     -0.9103000    
 H    2.957800      -1.052000      -3.100100    
 H    2.589800      0.6561000      -3.022800    
 H   -3.051100      -2.051100      0.4826000    
 H   -2.008200      -1.636300       1.839100    
 H    3.599000       1.694100       1.774200    
 H    4.913700       1.329900      0.6833000    
 H   -2.545200       2.222300      -1.041500    
 H   -2.443200       2.918600      0.5809000    
 H   -1.024900       2.896000     -0.4746000    
 H    2.355500       2.476100      -1.674000    
 H    2.808400       3.130800     -9.9699996E-02
 H    4.049000       2.555000      -1.205600    
 H    4.292700      -2.139800      -1.294700    
 H    2.839100      -2.013800     -0.3007000    
 H    3.235500     -0.7516000       2.172100    
 H    4.917200     -0.2898000       2.467000    
 H   -5.744500      0.5681000      -1.578100    
 H   -7.916800     -0.5272000      -1.510300    
 H   -7.436100      -1.462100      1.7100001E-02


%chk=000048619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048619

0 1
O -3.808961 0.031704 -0.160887
O 5.739173 -2.047604 0.856702
O -5.413321 -0.547222 1.444968
C 0.585826 0.349567 -1.049632
C 1.501995 0.556242 0.196890
C -0.850187 -0.103945 -0.663009
C -1.541855 0.816227 0.399067
C 2.970093 0.979291 -0.194380
C 3.563405 -0.047473 -1.226506
C 0.815392 1.533209 1.187905
C -0.582650 1.029698 1.612609
C 1.213740 -0.615001 -2.086599
C -2.727078 -0.063129 0.878566
C -0.982734 -1.551040 -0.083814
C 2.652602 -0.205993 -2.471671
C -2.187823 -1.515097 0.910938
C 3.917389 1.016193 1.047509
C -1.998677 2.176209 -0.172773
C 3.003999 2.405642 -0.815390
C 3.867304 -1.445142 -0.597643
C 4.182288 -0.362981 1.708608
C 4.697519 -1.360365 0.676775
C -5.112962 -0.244567 0.262652
C -6.052149 -0.119270 -0.884307
C -7.384068 -0.335247 -0.730479
H 0.478483 1.339957 -1.544344
H 1.572791 -0.425739 0.714960
H -1.468793 -0.056736 -1.583901
H 4.538032 0.366993 -1.563894
H 0.725149 2.534069 0.723587
H 1.433473 1.661904 2.096999
H -0.457431 0.079172 2.169435
H -1.044671 1.749605 2.317541
H 0.575977 -0.644383 -2.992798
H 1.213004 -1.646291 -1.680926
H -3.165576 0.259897 1.839945
H -0.059988 -1.860709 0.441517
H -1.149120 -2.285021 -0.890927
H 3.091365 -0.958793 -3.156643
H 2.627499 0.748940 -3.032335
H -2.986062 -2.226260 0.640515
H -1.873374 -1.771851 1.938238
H 3.525042 1.716140 1.808642
H 4.890774 1.436107 0.719749
H -2.663947 2.033987 -1.040780
H -2.552916 2.758621 0.587568
H -1.136798 2.786618 -0.496726
H 2.291890 2.530086 -1.649077
H 2.769672 3.175343 -0.057790
H 4.015385 2.626055 -1.206797
H 4.396147 -2.084350 -1.327029
H 2.914849 -1.953023 -0.343855
H 3.240838 -0.758298 2.142244
H 4.917500 -0.278944 2.527719
H -5.610145 0.153918 -1.848224
H -8.080978 -0.244515 -1.570089
H -7.790231 -0.607602 0.250775


