%chk=000172813.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172813

0 1
 P   -4.070200      -1.148100     -0.8331000    
 O    5.341600      -1.825600     -0.1193000    
 O    4.276200      -1.283200      -2.048100    
 O    2.280900       1.746700       1.301200    
 O   -2.177400     -0.9416000       1.436200    
 O   -4.720800      -1.801300      -2.153700    
 O   -4.982500      -1.712100      0.3683000    
 O   -3.867000      0.3274000     -0.8644000    
 O   -1.104300       2.061400     -0.7972000    
 N    2.717200      0.4662000     -0.5874000    
 N  -0.6317000      -2.539600      0.7487000    
 N   0.6891000       3.404900     -0.1917000    
 N   -2.651300       3.321500       1.097000    
 C    2.182800      -1.739300      0.3784000    
 C    1.351000      -1.391800       1.615800    
 C    3.254700     -0.6903000      8.3200000E-02
 C   0.2679000      -2.435100       1.864800    
 C    4.323000      -1.267800     -0.8248000    
 C    2.270300       1.599900      8.1000000E-02
 C   -1.788000      -1.778600      0.6264000    
 C   -2.543400      -2.088500     -0.6414000    
 C    1.728400       2.645400     -0.8719000    
 C  -0.6437000       3.041400     -0.2159000    
 C   -1.502900       4.028100      0.5479000    
 H    1.540200      -1.855100     -0.5033000    
 H    2.658200      -2.714600      0.5456000    
 H   0.8715000     -0.4164000       1.484500    
 H    2.000200      -1.324800       2.496200    
 H    3.739600     -0.3561000       1.008500    
 H   0.7124000      -3.423400       2.023300    
 H  -0.3009000      -2.171400       2.762900    
 H    2.644900      0.4367000      -1.600800    
 H  -0.4039000      -3.207900      1.8200001E-02
 H   -1.891900      -1.874100      -1.495400    
 H   -2.780100      -3.158100     -0.6544000    
 H    1.311000       2.185800      -1.772800    
 H    2.533200       3.333600      -1.144500    
 H   0.9751000       4.234500      0.3197000    
 H    6.020900      -2.219000     -0.7075000    
 H   -1.825800       4.817400     -0.1381000    
 H  -0.9354000       4.482400       1.365900    
 H   -5.566400      -1.442200      -2.497300    
 H   -5.878000      -1.336100      0.5052000    
 H   -3.242600       3.980900       1.601500    
 H   -3.223900       2.955400      0.3370000    


%chk=000172813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172813

0 1
P -4.247722 -0.757076 -0.913911
O 4.588858 -2.194206 -1.044289
O 4.324384 -0.228297 -2.254340
O 3.359100 1.516463 1.987313
O -2.409851 -0.745359 1.491874
O -5.503029 -1.715760 -1.599236
O -4.913075 -0.271087 0.594622
O -3.681354 0.398619 -1.852390
O 0.752516 2.137083 -1.761886
N 2.765828 0.893103 -0.188561
N -0.898636 -2.331037 0.721333
N 0.659910 2.958310 0.423499
N -1.942123 2.527850 0.713185
C 2.058449 -1.489063 0.203897
C 1.190668 -1.065941 1.408408
C 3.232919 -0.481109 -0.031279
C 0.102614 -2.092377 1.788983
C 4.083023 -0.895849 -1.230009
C 2.819282 1.782075 0.867615
C -2.091645 -1.671243 0.658109
C -3.056699 -2.132627 -0.441819
C 2.111308 3.124528 0.579206
C 0.082472 2.504999 -0.734211
C -1.452426 2.483082 -0.688866
H 1.439923 -1.537974 -0.715029
H 2.498243 -2.491000 0.369145
H 0.709131 -0.093057 1.202717
H 1.836559 -0.912127 2.294152
H 3.879680 -0.495461 0.869180
H 0.559491 -3.068579 2.039057
H -0.451289 -1.730978 2.672092
H 2.286432 1.196749 -1.058190
H -0.682596 -3.020618 -0.001401
H -2.538459 -2.472369 -1.353594
H -3.687248 -2.957917 -0.065737
H 2.519316 3.564833 -0.350292
H 2.313898 3.799798 1.424006
H -0.025900 3.133032 1.179351
H 5.153086 -2.437526 -1.827483
H -1.820438 1.615060 -1.268081
H -1.808270 3.380431 -1.228878
H -6.154512 -1.215334 -2.151914
H -4.158943 -0.240600 1.272357
H -2.807857 3.063788 0.824364
H -2.036819 1.592268 1.131332


