%chk=000161605.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161605

0 1
 P    4.503400       1.758000     -5.4099999E-02
 O    1.028100     -0.4682000       1.208800    
 O  -0.7455000      -2.845100     -0.8223000    
 O    1.252000      -3.493700      0.9023000    
 O    3.526900      0.6736000      0.6476000    
 O    3.662300       2.254400      -1.343000    
 O    5.663600      0.8351000     -0.7000000    
 O    4.992800       2.849700      0.8520000    
 N   -1.070200      0.1245000      0.2727000    
 N   -1.692900       2.150000     -0.4258000    
 N   -3.252500     -0.8629000      0.6784000    
 N   -5.047600      0.7102000      0.1694000    
 N   -4.625600       2.927300     -0.6267000    
 C   0.2246000      -1.859900     -0.5309000    
 C    1.528800      -2.442700     -2.3200000E-02
 C  -0.1913000     -0.9833000      0.6405000    
 C    2.137000      -1.267100      0.7350000    
 C    3.021100     -0.3898000     -0.1403000    
 C   -2.436800      0.1344000      0.3048000    
 C  -0.6717000       1.358500     -0.1724000    
 C   -2.802300       1.397600     -0.1320000    
 C  -0.2955000      -3.752400      -1.823900    
 C   -4.164900       1.671900     -0.1936000    
 C   -4.543900     -0.4799000      0.5768000    
 H   0.4033000      -1.243600      -1.422200    
 H    2.173700      -2.845100     -0.8100000    
 H  -0.7095000      -1.554900       1.420400    
 H    2.693600      -1.587500       1.622900    
 H    2.447000      3.4200002E-02 -0.9699000    
 H    3.852900     -0.9760000     -0.5430000    
 H    2.105400      -3.812100       1.243000    
 H   0.3689000       1.625300     -0.2983000    
 H   0.4683000      -4.430800      -1.434900    
 H   7.9000004E-02  -3.215700      -2.701300    
 H   -1.151300      -4.359200      -2.133800    
 H   -5.278700      -1.226100      0.8595000    
 H   -3.969100       3.646200     -0.8991000    
 H   -5.620600       3.101900     -0.6637000    
 H    4.026500       2.976500      -1.897900    
 H    6.440300       1.268900      -1.112900    


%chk=000161605-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161605

0 1
P 3.844954 1.903254 0.390070
O 1.226807 -0.382472 0.813268
O -0.640915 -2.862029 -1.081706
O 1.135921 -3.620642 0.911490
O 4.178736 0.221239 0.773367
O 2.182216 1.911256 0.113553
O 4.385981 2.065152 -1.243005
O 4.531039 2.880462 1.422836
N -0.859728 0.112645 -0.265171
N -1.633798 1.834091 -1.573053
N -2.785898 -0.101119 1.295389
N -4.573098 1.510496 0.782827
N -4.427959 3.070865 -0.986827
C 0.460278 -1.997209 -0.761071
C 1.675125 -2.630388 -0.017666
C -0.045533 -0.952784 0.257343
C 2.313044 -1.413110 0.713597
C 3.533415 -0.838545 -0.023220
C -2.127710 0.455481 0.243974
C -0.621997 0.983557 -1.355662
C -2.585246 1.510899 -0.582646
C -0.291477 -3.959872 -1.990503
C -3.870562 2.046004 -0.273071
C -4.004606 0.489493 1.493556
H 0.852273 -1.488912 -1.673547
H 2.393742 -3.099059 -0.721149
H -0.616482 -1.448877 1.061930
H 2.601399 -1.674268 1.748392
H 3.266653 -0.473788 -1.035307
H 4.300034 -1.628858 -0.120351
H 1.868011 -3.990376 1.467044
H 0.312089 0.980958 -1.911849
H 0.379409 -4.683868 -1.490634
H 0.181753 -3.578963 -2.920292
H -1.244025 -4.450997 -2.238128
H -4.600289 0.099058 2.323637
H -3.915712 3.488838 -1.760671
H -5.344942 3.419389 -0.715104
H 1.671422 1.109735 0.514795
H 5.225278 2.585462 -1.327536


