%chk=000000197.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000197

0 1
 P    4.244500      0.6963000     -0.3715000    
 P    5.697900      -1.716400      0.4773000    
 O  -0.6436000      0.3703000      0.8140000    
 O   -1.859600       3.636800     -2.0000001E-03
 O   0.4879000       2.614200      -1.747200    
 O    2.661100      0.8853000     -0.6433000    
 O    4.412900     -0.8732000     -2.1900000E-02
 O    4.499800       1.422500       1.051400    
 O    5.133900       1.178300      -1.480800    
 O    6.699500      -1.642600     -0.7891000    
 O    5.172800      -3.244800      0.4557000    
 O    6.280400      -1.256700       1.781300    
 N   -2.989000      0.6819000      0.7537000    
 N   -5.156500      0.2799000       1.092300    
 N   -2.430000      -1.215300     -0.6568000    
 N   -4.377700      -2.632000      -1.051500    
 N   -6.531000      -2.141500     -0.1297000    
 C   -1.431300       2.322000     -0.3111000    
 C   7.4000001E-02   2.236700     -0.4479000    
 C   -1.694700       1.355500      0.8381000    
 C   0.3209000      0.7608000     -0.1785000    
 C    1.720200      0.4676000      0.3324000    
 C   -3.272600     -0.4680000      7.2099999E-02
 C   -4.152700       1.091900       1.350200    
 C   -4.620600     -0.6996000      0.2944000    
 C   -5.171100      -1.830300     -0.3007000    
 C   -3.075700      -2.279800      -1.180900    
 H   -1.929300       2.015900      -1.239400    
 H   0.5720000       2.887300      0.2801000    
 H   -1.661100       1.856100       1.813500    
 H   0.1410000      0.1711000      -1.086700    
 H    1.833100     -0.6049000      0.5241000    
 H    1.904900      0.9892000       1.277900    
 H   -2.818500       3.602300      0.1552000    
 H   4.6700001E-02   2.034900      -2.391300    
 H   -4.207700       1.986200       1.956000    
 H   -2.470200      -2.943800      -1.788500    
 H   -7.125300      -1.544400      0.4293000    
 H   -6.907700      -2.968200     -0.5731000    
 H    4.587100       2.399200       1.076400    
 H    7.602800      -2.015000     -0.7026000    
 H    5.758300      -3.953100      0.7987000    


%chk=000000197-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000197

0 1
P 3.280881 -0.940052 -1.006856
P 5.200005 0.984954 0.533980
O -0.548101 -0.450970 1.886276
O 0.165001 2.537279 1.813393
O 0.238616 0.693010 -1.369976
O 2.488710 -1.873165 0.232650
O 3.652213 0.571936 -0.155536
O 2.188134 -0.507731 -2.141293
O 4.645452 -1.635136 -1.460233
O 6.309797 0.026307 -0.300498
O 4.908595 0.221646 2.063427
O 5.502112 2.530378 0.607712
N -2.657554 0.397561 0.991803
N -4.892568 -0.159741 0.950450
N -2.197419 0.128529 -1.473706
N -4.173938 -0.535671 -2.736475
N -6.264820 -0.888384 -1.705403
C -0.477807 1.695550 0.807011
C 0.530742 0.770926 0.066092
C -1.359615 0.731835 1.636763
C 0.399675 -0.631256 0.748381
C 1.701908 -1.223022 1.312970
C -2.971764 0.111981 -0.342102
C -3.855386 0.204319 1.716312
C -4.352031 -0.221024 -0.344772
C -4.952559 -0.553444 -1.595279
C -2.868898 -0.205184 -2.624307
H -1.053302 2.304791 0.082583
H 1.557698 1.165716 0.161046
H -1.594897 1.175350 2.616644
H -0.033125 -1.356355 0.029040
H 1.469704 -2.054543 1.996556
H 2.317932 -0.468457 1.832882
H 0.873591 3.087405 1.392477
H -0.858952 0.422238 -1.504926
H -3.891544 0.346567 2.794502
H -2.277991 -0.202474 -3.544234
H -6.856047 -0.911275 -0.875472
H -6.643333 -1.121403 -2.622598
H 1.205676 0.096513 -1.873677
H 5.881174 -0.763322 -0.823801
H 5.589836 0.410419 2.757794


