%chk=000074136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074136

0 1
 P   0.6263000      -3.066900      0.2664000    
 O   0.3481000      -1.473700      0.2992000    
 O  -0.6577000       2.341600      0.9482000    
 O    1.457600      -3.351400       1.624500    
 O  -0.8305000      -3.689400      0.5968000    
 O    1.249300      -3.583300     -0.9980000    
 N   -1.391800      0.3839000     -0.1167000    
 C   0.9620000      0.8412000      0.2156000    
 C    3.297600       1.451300     -8.6300001E-02
 C    3.643100      7.9599999E-02 -0.1278000    
 C    1.301700     -0.5077000      0.1746000    
 C    1.952200       1.815500      8.6000003E-02
 C   -2.800500      0.5331000     -0.1127000    
 C    2.633300     -0.8875000      3.8999999E-03
 C   -3.605700     -0.4479000     -0.6678000    
 C  -0.4224000       1.257700      0.3924000    
 C    4.307500       2.418300     -0.2180000    
 C    4.988400     -0.2848000     -0.3005000    
 C   -5.551500      0.8597000     -8.2999997E-02
 C   -4.990800     -0.2834000     -0.6529000    
 C   -3.342000       1.674200      0.4569000    
 C   -4.727100       1.838400      0.4719000    
 C    5.639100       2.038100     -0.3883000    
 C    5.978900      0.6893000     -0.4297000    
 C   -3.032700      -1.681500      -1.286800    
 C   -7.032500       1.035600     -6.7800000E-02
 H    1.686200       2.871200      0.1115000    
 H    2.929700      -1.931000     -2.7400000E-02
 H   -1.054600     -0.4598000     -0.5696000    
 H    4.065400       3.478600     -0.1889000    
 H    5.277900      -1.333000     -0.3359000    
 H   -5.638200      -1.042600      -1.085600    
 H   -2.780300       2.478400      0.9062000    
 H   -5.153100       2.734100      0.9167000    
 H    6.410600       2.795900     -0.4889000    
 H    7.015600      0.3941000     -0.5625000    
 H   -2.308200      -1.430400      -2.068300    
 H   -2.557200      -2.296700     -0.5217000    
 H   -3.808100      -2.293900      -1.760400    
 H   -7.542200      7.1800001E-02  3.6200002E-02
 H   -7.349800       1.658100      0.7757000    
 H   -7.363800       1.510600     -0.9966000    
 H    1.794900      -4.256800       1.793100    
 H  -0.9564000      -4.660200      0.5345000    


%chk=000074136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074136

0 1
P 0.706632 -3.218696 0.460564
O 0.449652 -1.688358 -0.288871
O -0.611609 2.332781 0.748139
O 0.798707 -2.747236 2.106393
O -0.898902 -3.756564 0.231104
O 1.854832 -4.194341 -0.039587
N -1.426967 0.294525 -0.092025
C 1.011032 0.682662 0.063371
C 3.388650 1.394592 -0.068808
C 3.796619 0.036855 -0.364964
C 1.455613 -0.657577 -0.208193
C 2.003599 1.671927 0.131129
C -2.834136 0.523966 -0.053026
C 2.791880 -0.979775 -0.431712
C -3.681982 -0.448964 -0.674092
C -0.413130 1.163412 0.285035
C 4.387679 2.421626 0.005940
C 5.184746 -0.246272 -0.581423
C -5.671868 0.880564 -0.007584
C -5.079493 -0.246542 -0.631080
C -3.407643 1.662039 0.573854
C -4.806960 1.826953 0.593211
C 5.734047 2.118908 -0.206423
C 6.134229 0.775755 -0.503524
C -3.107992 -1.668012 -1.376111
C -7.177952 1.077464 -0.012570
H 1.665322 2.688992 0.359550
H 3.079628 -2.012682 -0.661730
H -1.116605 -0.629222 -0.416847
H 4.076258 3.447971 0.231317
H 5.491408 -1.273757 -0.808913
H -5.727849 -0.994236 -1.106364
H -2.749070 2.401073 1.031818
H -5.229899 2.710591 1.086604
H 6.491778 2.907473 -0.148273
H 7.193911 0.553671 -0.670129
H -2.418899 -1.382840 -2.195842
H -2.545177 -2.329912 -0.689443
H -3.916830 -2.269968 -1.823307
H -7.714131 0.111752 -0.027787
H -7.514167 1.640111 0.876365
H -7.504832 1.648255 -0.904115
H 1.503741 -3.212436 2.625523
H -0.975570 -4.728127 0.051026


