%chk=000133544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133544

0 1
 P    1.730400      -2.357200      -1.049400    
 O   0.6355000      0.9947000      -2.040600    
 O    2.116000      -3.027000      0.3789000    
 O    2.635800      -3.240200      -2.068200    
 O   0.2605000      -2.475400      -1.352100    
 O  -0.2916000       3.776600     -5.1899999E-02
 O   -2.364200       4.009000     -0.9243000    
 N    2.355700     -0.8291000      -1.042700    
 N  -0.3762000       1.162800      4.2399999E-02
 C    2.924300       1.176500      0.2652000    
 C    1.827100      0.1658000     -0.1059000    
 C    4.115400      0.5727000       1.040300    
 C   0.6528000      0.8225000     -0.8231000    
 C   -1.609500       1.770900     -0.4017000    
 C    5.205500       1.603800       1.335800    
 C    3.618400     -4.2199999E-02   2.351800    
 C   -2.773300       1.404000      0.5282000    
 C   -2.994100     -8.5600004E-02  0.6359000    
 C   -1.473900       3.283800     -0.4926000    
 C   -3.858200     -0.7285000     -0.2508000    
 C   -2.334000     -0.8194000       1.621600    
 C   -4.062200      -2.104800     -0.1516000    
 C   -2.538000      -2.195700       1.720700    
 C   -3.402100      -2.838300      0.8340000    
 H    3.299300       1.661300     -0.6468000    
 H    2.475800       1.983800      0.8601000    
 H    1.449600     -0.3348000      0.7911000    
 H    4.573000     -0.2221000      0.4386000    
 H   -1.806900       1.412900      -1.420000    
 H    2.572300     -0.3897000      -1.936700    
 H    5.585200       2.039600      0.4058000    
 H    6.049600       1.143000       1.859400    
 H    4.821400       2.418400       1.959100    
 H    4.463500     -0.3688000       2.968200    
 H    2.999600     -0.9269000       2.179200    
 H    3.037700      0.6785000       2.937500    
 H  -0.2205000       1.078800       1.042800    
 H   -3.699300       1.882300      0.1819000    
 H   -2.598700       1.814800       1.532500    
 H   -4.376100     -0.1678000      -1.024400    
 H   -1.662300     -0.3324000       2.323400    
 H    1.763600      -3.917200      0.5922000    
 H    2.368700      -4.165500      -2.254300    
 H   -4.734300      -2.605400     -0.8423000    
 H   -2.024400      -2.767000       2.488400    
 H   -3.560600      -3.910000      0.9111000    
 H  -0.2507000       4.753800     -0.1265000    


%chk=000133544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133544

0 1
P 1.659651 -2.726091 0.699878
O 0.041145 0.589668 -1.423666
O 2.924118 -2.437055 1.848769
O 2.222480 -3.839946 -0.493024
O 0.342425 -3.236752 1.451923
O -0.888010 3.551720 2.114991
O -2.484049 4.318074 0.606272
N 1.787590 -1.311145 -0.230701
N -0.402112 1.327621 0.747487
C 2.869503 0.940954 -0.180279
C 1.686553 0.059890 0.308058
C 4.262629 0.508252 0.342102
C 0.361841 0.675814 -0.199449
C -1.663353 1.995575 0.417673
C 5.367210 1.263427 -0.434970
C 4.410360 0.741949 1.864187
C -2.927893 1.198521 0.922019
C -3.104511 -0.127001 0.200928
C -1.730741 3.405209 0.997716
C -3.927605 -0.206163 -0.952001
C -2.436369 -1.296383 0.642920
C -4.079429 -1.426100 -1.646849
C -2.578240 -2.517210 -0.053793
C -3.403127 -2.585646 -1.199632
H 2.856930 0.924096 -1.287992
H 2.672413 1.990897 0.123167
H 1.696194 -0.000042 1.412083
H 4.373121 -0.576846 0.148327
H -1.717069 2.070456 -0.682953
H 1.593964 -1.391752 -1.234855
H 5.301436 1.068386 -1.521641
H 6.372129 0.951929 -0.094585
H 5.283971 2.357295 -0.280925
H 5.425303 0.462402 2.201984
H 3.697292 0.127900 2.442491
H 4.251989 1.808758 2.118983
H -0.066869 1.406123 1.709815
H -3.808054 1.847688 0.758662
H -2.819698 1.045298 2.012852
H -4.451439 0.691165 -1.305529
H -1.794765 -1.268043 1.531097
H 2.792652 -2.947689 2.689083
H 1.821244 -4.741026 -0.395817
H -4.721422 -1.472667 -2.533960
H -2.029577 -3.394543 0.303490
H -3.518600 -3.531988 -1.740610
H -0.995614 4.464323 2.496475


