%chk=000114479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114479

0 1
 P  -1.0800000E-02  -1.395600      0.2505000    
 O    1.205300      0.8449000      0.2483000    
 O   -1.189800      0.8650000      0.2484000    
 O  -2.5200000E-02  -2.692100     -0.7129000    
 O  -1.5000000E-02  -1.711500       1.717000    
 C    1.395500     -0.4567000     -0.3079000    
 C   -1.401300     -0.4332000     -0.3080000    
 C    2.728600     -0.9913000      0.1762000    
 C   -2.742800     -0.9469000      0.1753000    
 C   1.2900000E-02   1.475700     -0.2343000    
 C   2.5100000E-02   2.906200      0.2822000    
 C    3.009800      -2.376800     -0.4117000    
 C    3.866000     -2.8400000E-02 -0.1753000    
 C   -3.873400     -8.9999998E-04 -0.2379000    
 C   -3.013900      -2.356900     -0.3566000    
 C    1.269400       3.649200     -0.2057000    
 C   -1.240600       3.649500     -0.1472000    
 H    1.395300     -0.3756000      -1.402100    
 H   -1.398500     -0.3533000      -1.402400    
 H    2.709600      -1.080100       1.269900    
 H   -2.745600     -0.9866000       1.272100    
 H   1.2200000E-02   1.482700      -1.333200    
 H   5.0500002E-02   2.893900       1.380000    
 H    4.026400      -2.702500     -0.1646000    
 H    2.331000      -3.128800     -6.0000003E-04
 H    2.913800      -2.377000      -1.502600    
 H    3.923600      0.1388000      -1.256400    
 H    4.830000     -0.4304000      0.1548000    
 H    3.735900      0.9426000      0.3132000    
 H   -3.924300      0.1030000      -1.327300    
 H   -4.841500     -0.3771000      0.1102000    
 H   -3.739300      0.9965000      0.1930000    
 H   -2.454600      -3.101700      0.2148000    
 H   -2.766700      -2.448700      -1.419000    
 H   -4.071400      -2.619300     -0.2383000    
 H  -0.6599000      -3.423500     -0.5740000    
 H    1.318700       3.666300      -1.299900    
 H    1.262900       4.686500      0.1462000    
 H    2.187600       3.185400      0.1689000    
 H   -1.348000       3.654700      -1.237400    
 H   -1.210800       4.690700      0.1918000    
 H   -2.139900       3.195900      0.2816000    


%chk=000114479-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114479

0 1
P -0.029064 -1.616079 -0.070772
O 1.193395 0.862849 0.266099
O -1.205430 0.882890 0.274695
O -0.042624 -2.431147 -1.641345
O -0.033800 -2.623666 1.180160
C 1.485044 -0.450343 -0.325930
C -1.524216 -0.425061 -0.316111
C 2.781567 -0.985586 0.306378
C -2.825567 -0.938133 0.324454
C -0.002685 1.517272 -0.270439
C 0.010239 2.984045 0.179529
C 3.112257 -2.410968 -0.199577
C 3.944262 -0.005235 0.019368
C -3.972467 0.063588 0.047767
C -3.185333 -2.356118 -0.182498
C 1.292246 3.692595 -0.315001
C -1.261575 3.712954 -0.311834
H 1.574945 -0.368876 -1.432068
H -1.620307 -0.340965 -1.421476
H 2.614128 -1.032249 1.400327
H -2.651361 -0.990528 1.417089
H -0.007418 1.410409 -1.383903
H 0.011385 2.966648 1.286865
H 4.098655 -2.720415 0.189929
H 2.368799 -3.147375 0.154115
H 3.157278 -2.447220 -1.304408
H 4.158467 0.044915 -1.065913
H 4.862647 -0.346918 0.530121
H 3.705349 1.010951 0.374664
H -4.191037 0.122576 -1.036196
H -4.894106 -0.264636 0.561467
H -3.714375 1.073865 0.406511
H -2.452547 -3.106571 0.163740
H -3.239029 -2.388790 -1.287021
H -4.174146 -2.648645 0.213817
H -0.046897 -3.417791 -1.551864
H 1.327485 3.722742 -1.421548
H 1.312214 4.735877 0.048035
H 2.197858 3.178402 0.046794
H -1.298218 3.745008 -1.418290
H -1.264823 4.755997 0.052449
H -2.174394 3.212332 0.050923


