%chk=000127778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127778

0 1
 P   -3.862600     -0.9086000      -1.078800    
 P   -1.500900      -2.483100     -0.2986000    
 P  -0.1366000      -1.612200       2.168000    
 O   -1.153400       1.503400      0.6499000    
 O   -1.623200       4.530100       1.036500    
 O   -3.594400      0.3404000     -8.5699998E-02
 O   -2.409100      -1.583100      -1.284400    
 O   -4.645700      -1.988900     -0.1639000    
 O   -4.563800     -0.5568000      -2.358800    
 O   -1.121600      -1.462900      0.8955000    
 O    5.898200      -1.704300      -1.408400    
 O  -0.1095000      -2.654900      -1.103300    
 O   -2.129400      -3.768100      0.1541000    
 O  -0.3972000     -0.2476000       2.994200    
 O  -0.8540000      -2.742900       3.072600    
 O    1.297600      -1.883200       1.820600    
 N   0.9613000       1.329100     -0.4108000    
 N    1.801900     -0.1259000      -1.875900    
 N    2.845200       1.524700       1.110100    
 N    4.710300      0.1222000      0.3957000    
 N    4.613700      -1.241500      -1.568500    
 C   -1.835700       3.667400     -7.8800000E-02
 C   -2.326700       2.309600      0.4120000    
 C   5.7000001E-03   2.235400      0.2154000    
 C  -0.4941000       3.346300     -0.6969000    
 C   -3.191600       1.591900     -0.6150000    
 C    2.223400       1.040500      2.4499999E-02
 C   0.7542000      0.6041000      -1.554400    
 C    2.727600      0.1373000     -0.8975000    
 C    4.022200     -0.3246000     -0.6824000    
 C    4.088300       1.006000       1.213000    
 H   -2.519900       4.170500     -0.7681000    
 H   -2.860800       2.378800       1.366300    
 H   0.4758000       2.657100       1.111500    
 H   0.2003000       4.192100     -0.7161000    
 H  -0.6389000       2.996400      -1.724800    
 H   -2.631500       1.419500      -1.540500    
 H   -4.088400       2.173700     -0.8486000    
 H   -2.489100       4.687600       1.450300    
 H  -0.1754000      0.6376000      -2.105800    
 H    4.668300       1.341900       2.065900    
 H    4.103000      -1.570000      -2.378300    
 H   -5.024500      -2.786300     -0.5914000    
 H    5.753800      -2.660200      -1.305300    
 H   0.5860000      -3.237300     -0.7302000    
 H   0.1637000     -5.0299998E-02   3.774400    
 H  -0.3964000      -3.068700       3.876800    


%chk=000127778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127778

0 1
P -4.776554 -1.060826 -0.943273
P -3.255847 -2.234967 1.531724
P -0.360266 -1.570772 2.528730
O -0.436598 1.005659 -0.982451
O -2.239963 2.776292 1.415641
O -4.101708 0.537675 -0.913726
O -3.439620 -1.971429 -0.163912
O -5.978116 -0.950036 0.221043
O -5.110300 -1.643947 -2.366138
O -1.970236 -1.117773 1.914994
O 6.908538 -0.589521 -1.996242
O -2.604272 -3.749097 1.730173
O -4.636203 -1.876468 2.256138
O 0.671102 -0.514156 1.884007
O -0.483434 -1.259572 4.205523
O -0.225733 -3.158475 2.293369
N 1.691007 1.980506 -0.688643
N 3.500473 2.476946 -2.015599
N 2.525792 -0.198164 0.232094
N 4.693072 -0.836415 -0.593315
N 5.920711 0.435375 -2.073302
C -1.937327 2.672032 -0.015024
C -1.828022 1.174688 -0.476612
C 0.329596 1.954892 -0.148014
C -0.508282 3.243103 -0.205885
C -2.782461 0.731174 -1.580420
C 2.599791 0.943867 -0.531063
C 2.281446 2.871937 -1.607986
C 3.708559 1.261001 -1.348807
C 4.781204 0.320952 -1.362032
C 3.600650 -1.045311 0.157879
H -2.689214 3.224016 -0.610715
H -1.952084 0.518811 0.406950
H 0.374580 1.567157 0.889912
H -0.275402 3.962807 0.594012
H -0.420163 3.727548 -1.193414
H -2.419727 -0.206061 -2.039578
H -2.924427 1.493226 -2.364967
H -3.097732 2.314660 1.599963
H 1.788456 3.784770 -1.928548
H 3.546867 -1.954953 0.759444
H 6.174307 1.197038 -2.701327
H -5.673292 -1.260692 1.167165
H 6.471986 -1.244301 -1.353033
H -1.548969 -3.729651 1.962433
H 1.673320 -0.419866 0.931241
H -0.439407 -0.301481 4.457694


