%chk=000001834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001834

0 1
 P    4.511700      -1.273000      0.4177000    
 O   0.5212000      0.3637000      0.2279000    
 O    1.564800       3.142700     -0.2552000    
 O    3.048600     -0.7997000     -8.6499996E-02
 O   -3.027400       1.956800       1.461900    
 O    4.822200     -0.2951000       1.667700    
 O    5.490200     -0.7154000     -0.7427000    
 O    4.640000      -2.740600      0.7039000    
 N   -1.819400      0.4532000      0.2013000    
 N   -4.105600      8.2099997E-02  0.7797000    
 N   -5.238800      -1.815100      0.1043000    
 C    1.017100       2.204100      -1.172800    
 C    1.410800      0.7735000     -0.8280000    
 C  -0.4812000       2.156400     -0.9780000    
 C  -0.6185000       1.236600      0.2272000    
 C    2.846100      0.5736000     -0.3782000    
 C   -1.792000     -0.7421000     -0.4784000    
 C   -2.985900      0.8893000      0.8477000    
 C   -2.856100      -1.545500     -0.5628000    
 C   -4.088600      -1.057200      0.1348000    
 C   -2.859300      -2.848300      -1.291600    
 H    1.320100       2.490300      -2.184000    
 H    1.196300      0.1108000      -1.676100    
 H  -0.9428000       3.131500     -0.7935000    
 H  -0.9543000       1.718500      -1.865600    
 H  -0.5754000       1.821200       1.153900    
 H    3.044700       1.148000      0.5321000    
 H    3.537200      0.8927000      -1.164200    
 H    1.228700       4.021500     -0.5008000    
 H  -0.8737000      -1.025800     -0.9790000    
 H   -3.602300      -2.837500      -2.095700    
 H   -3.092600      -3.671100     -0.6081000    
 H   -1.886000      -3.063500      -1.745600    
 H   -5.294500      -2.705800     -0.3771000    
 H   -6.080100      -1.495100      0.5722000    
 H    5.640800     -0.4370000       2.189300    
 H    6.441300     -0.9541000     -0.7168000    


%chk=000001834-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001834

0 1
P 3.828250 -1.417311 0.097882
O 0.889859 0.400055 -0.279962
O 1.788966 3.338988 -0.237200
O 3.667189 -0.278458 -1.223185
O -2.591111 2.043842 1.201508
O 2.525974 -1.056366 1.107933
O 5.114016 -0.793389 1.062617
O 4.054171 -2.886113 -0.441330
N -1.479009 0.279394 0.148769
N -3.773402 0.028488 0.865628
N -4.903528 -1.958290 0.490932
C 1.074547 2.587179 -1.279393
C 1.686931 1.173679 -1.304136
C -0.395882 2.324384 -0.900457
C -0.299283 1.175817 0.128756
C 3.175341 1.093200 -0.958925
C -1.471510 -0.999052 -0.372789
C -2.666059 0.847823 0.783992
C -2.590309 -1.810593 -0.305675
C -3.747956 -1.223667 0.355273
C -2.600231 -3.220468 -0.853091
H 1.176086 3.085368 -2.263663
H 1.509953 0.688259 -2.281830
H -0.910156 3.196350 -0.468282
H -0.966547 1.987569 -1.785214
H -0.152366 1.563736 1.151109
H 3.361569 1.415247 0.079809
H 3.744673 1.747067 -1.640456
H 1.321584 4.194029 -0.065066
H -0.532008 -1.331877 -0.819982
H -3.365854 -3.353055 -1.643194
H -2.800818 -3.967298 -0.059470
H -1.623755 -3.477351 -1.297167
H -4.980574 -2.913046 0.152889
H -5.688018 -1.518983 0.970320
H 1.766276 -0.521654 0.665961
H 5.960288 -1.298903 0.957987


