%chk=000039048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039048

0 1
 P   -5.557000      0.6556000     -0.1356000    
 O   -4.942100     -0.7578000      0.3932000    
 O   -5.287000      0.8532000      -1.608000    
 O   0.3617000      -2.345700      1.3400000E-02
 O   0.9510000     -0.1095000      0.1471000    
 O    7.272800       2.346000      1.2700000E-02
 O    8.574600      0.4584000     -0.1899000    
 N   -4.943900       1.828500      0.8677000    
 N   -7.171800      0.5670000      0.2464000    
 N    2.565200      -1.799300     -5.6800000E-02
 C   -5.169100       3.210300      0.4633000    
 C   -3.806800       2.588300      0.3639000    
 C   -8.067200       1.442500     -0.4988000    
 C   -8.042700     -3.6200002E-02 -0.7542000    
 C   -3.641300      -1.147100      0.3001000    
 C   -3.034700      -1.258800     -0.9510000    
 C   -2.914900      -1.434400       1.455700    
 C   -1.701600      -1.657800      -1.046400    
 C   -1.581800      -1.833400       1.360300    
 C  -0.9750000      -1.945000      0.1093000    
 C    1.273400      -1.287600      4.4799998E-02
 C    3.776900      -1.107800     -6.7000002E-02
 C    4.978400      -1.807600     -0.1779000    
 C    3.786700      0.2834000      3.5000000E-02
 C    6.199700      0.2749000     -8.4899999E-02
 C    6.189800      -1.116300     -0.1868000    
 C    4.998100      0.9746000      2.6000001E-02
 C    7.462900      0.9952000     -9.4899997E-02
 C    8.446000       3.166500      1.3100000E-02
 H   -5.351500       3.909300       1.267700    
 H   -5.709700       3.394100     -0.4542000    
 H   -3.419500       2.340900     -0.6141000    
 H   -3.067100       2.865000       1.102800    
 H   -8.898200       1.847500      6.2100001E-02
 H   -7.641400       2.096200      -1.246600    
 H   -7.592200     -0.3984000      -1.667400    
 H   -8.857600     -0.6317000     -0.3659000    
 H   -3.589800      -1.058500      -1.861900    
 H   -3.382300      -1.348200       2.432800    
 H   -1.235400      -1.747600      -2.023700    
 H   -1.021000      -2.056100       2.263900    
 H    2.631500      -2.811500     -0.1340000    
 H    4.985200      -2.891800     -0.2578000    
 H    2.897300      0.8919000      0.1239000    
 H    7.114500      -1.680700     -0.2741000    
 H    4.958700       2.057400      0.1077000    
 H    9.082600       2.913500      0.8661000    
 H    8.992300       3.043700     -0.9268000    
 H    8.132000       4.209500      0.1047000    


%chk=000039048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039048

0 1
P -6.380066 0.493158 -0.560656
O -5.071535 -0.186480 0.424710
O -6.275745 0.161002 -2.120083
O 0.388689 -0.401694 -0.981719
O 1.501733 0.272357 1.015001
O 8.526821 0.572848 1.436930
O 9.123250 -0.098673 -0.714397
N -6.363529 2.204999 -0.066003
N -7.801983 -0.095628 0.255474
N 2.623474 -0.349867 -0.977074
C -6.972925 3.207223 -1.039365
C -5.469620 3.143588 -0.868244
C -7.946546 -1.522989 0.715953
C -7.857215 -0.392121 1.732417
C -3.706347 -0.196281 0.040042
C -3.287730 -0.489012 -1.281274
C -2.761380 0.043393 1.060365
C -1.908458 -0.532080 -1.564481
C -1.378287 -0.011571 0.782943
C -0.965956 -0.296886 -0.539548
C 1.515787 -0.114597 -0.175112
C 3.990714 -0.206009 -0.634551
C 4.947996 -0.511794 -1.642783
C 4.428745 0.223129 0.648292
C 6.765641 0.036818 -0.096877
C 6.319392 -0.390796 -1.375032
C 5.807005 0.339685 0.903958
C 8.229246 0.148973 0.134720
C 9.968236 0.708972 1.743484
H -7.549490 3.993574 -0.544829
H -7.389172 2.821339 -1.977767
H -4.888900 2.722335 -1.697757
H -4.954203 3.884070 -0.250710
H -8.914497 -1.973226 0.478654
H -7.077707 -2.185329 0.625420
H -6.928525 -0.300226 2.305306
H -8.763401 -0.024372 2.222526
H -4.029395 -0.672389 -2.064356
H -3.114966 0.269767 2.070524
H -1.553212 -0.755289 -2.574818
H -0.645279 0.173495 1.568348
H 2.406121 -0.663342 -1.925960
H 4.612319 -0.843357 -2.633217
H 3.693733 0.458147 1.419980
H 7.065395 -0.622388 -2.141930
H 6.153210 0.668577 1.887532
H 10.478315 -0.262111 1.625999
H 10.436410 1.444450 1.067600
H 10.002542 1.051208 2.787364


