%chk=000005796.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005796

0 1
 O   -1.996900      -1.970800      0.3138000    
 O   0.1964000      -2.671200      0.8455000    
 O   -2.829100      0.5497000     -0.5172000    
 O    1.703000       1.357700      -1.334200    
 O    3.975000      0.9993000     -0.6152000    
 O   -1.614400       2.727000      0.7525000    
 C  -0.9252000      -2.867700     -2.6100000E-02
 C   -2.938700      -1.831200     -0.7423000    
 C    1.161600      -1.775000      0.4976000    
 C    1.838700      0.2221000     -0.5967000    
 C   -3.727800     -0.5527000     -0.5357000    
 C    3.136200      1.7200001E-02 -0.1863000    
 C   0.8268000     -0.6572000     -0.2706000    
 C    2.487100      -1.984300      0.9171000    
 C   -3.518300       1.780400     -0.3478000    
 C   -1.474200      -4.275700      0.1754000    
 C    3.493200      -1.078100      0.5732000    
 C   -2.510900       2.914000     -0.3359000    
 C    3.060100       1.845600      -1.340900    
 C  -0.6317000       3.752000      0.7995000    
 C   0.2891000       3.498900       1.974200    
 H  -0.6121000      -2.756000      -1.073100    
 H   -2.419800      -1.768700      -1.706000    
 H   -3.617900      -2.689100     -0.7519000    
 H   -4.253900     -0.5950000      0.4251000    
 H   -4.457600     -0.4294000      -1.343500    
 H  -0.1802000     -0.4457000     -0.6054000    
 H   -4.231400       1.924900      -1.166800    
 H   -4.059300       1.756600      0.6053000    
 H    2.735400      -2.857800       1.514600    
 H   -1.871500      -4.393900       1.190000    
 H  -0.6795000      -5.018300      4.9300000E-02
 H   -2.281100      -4.508900     -0.5250000    
 H    4.516400      -1.235900      0.8945000    
 H   -1.939400       2.909600      -1.271400    
 H   -3.029000       3.873500     -0.2306000    
 H    3.075000       2.845200     -0.8913000    
 H    3.400800       1.921500      -2.379900    
 H   -1.117900       4.727100      0.9150000    
 H  -5.0700001E-02   3.751700     -0.1297000    
 H  -0.2767000       3.483100       2.911500    
 H   0.7749000       2.522000       1.879100    
 H    1.060400       4.271200       2.039900    


%chk=000005796-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005796

0 1
O -2.012661 -2.090123 0.351830
O 0.197601 -2.793431 0.820442
O -2.653484 0.503144 -0.833714
O 1.379958 1.564566 -1.338882
O 3.719836 1.207840 -0.915431
O -1.581449 2.848992 0.817545
C -0.986213 -3.096710 0.040557
C -2.990802 -1.885023 -0.723630
C 1.059481 -1.761026 0.364127
C 1.577126 0.323981 -0.667546
C -3.643335 -0.526023 -0.514915
C 2.948147 0.121354 -0.416978
C 0.585373 -0.581492 -0.281964
C 2.432883 -1.975178 0.631849
C -3.188893 1.863517 -0.684117
C -1.434031 -4.495800 0.455124
C 3.408384 -1.019020 0.245670
C -2.026780 2.840534 -0.578301
C 2.735031 2.163122 -1.480997
C -0.371809 3.657905 1.021352
C 0.022856 3.524207 2.492055
H -0.743943 -3.027076 -1.046601
H -2.491391 -1.905045 -1.716985
H -3.767220 -2.679836 -0.698807
H -3.979758 -0.424538 0.538810
H -4.531058 -0.439599 -1.183005
H -0.479353 -0.366646 -0.413672
H -3.827327 2.106898 -1.562513
H -3.803545 1.942378 0.237672
H 2.726403 -2.897762 1.139599
H -1.617715 -4.509089 1.542120
H -0.658400 -5.242229 0.212959
H -2.368164 -4.770603 -0.066262
H 4.471046 -1.173549 0.447314
H -1.203310 2.527200 -1.254443
H -2.365405 3.859704 -0.877401
H 2.773111 3.105197 -0.903532
H 2.950646 2.312942 -2.553133
H -0.579060 4.721573 0.759195
H 0.436554 3.287198 0.354934
H -0.790223 3.883797 3.146355
H 0.222640 2.467080 2.737056
H 0.933157 4.114369 2.705862


