%chk=000161999.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161999

0 1
 P   -4.770800       2.528900     -0.2205000    
 O   -1.094200      0.7883000       1.244600    
 O   -3.378300       2.319200      -1.036600    
 O   -4.371500       2.479200       1.354300    
 O  -0.6206000       2.571500      -1.380400    
 O   -5.588200       1.151900     -0.4597000    
 O   -5.537900       3.757100     -0.6191000    
 N  -3.0099999E-02 -0.7949000     -0.1821000    
 N    1.060300      -2.643700     -0.7912000    
 N    3.206200     -0.2235000     -0.1796000    
 N   -2.053200      -1.787300      0.7258000    
 N    3.766100      -1.476100      0.2358000    
 N   -1.992600      -4.222500      0.5760000    
 N  -0.1360000      -5.406200     -0.3613000    
 C   -2.503000       1.345500     -0.5141000    
 C   -1.122300       1.263200      -1.123600    
 C   -2.165900       1.673100      0.9254000    
 C  -0.3194000      0.6243000      2.5500000E-02
 C   -3.395700       1.535800       1.799800    
 C    1.100400      -1.328500     -0.7450000    
 C  -0.8428000      -1.842700      0.1502000    
 C    2.209000     -0.4798000      -1.228500    
 C  -0.1486000      -2.978600     -0.2349000    
 C    4.284600      0.6155000     -0.6895000    
 C  -0.7675000      -4.202800     -2.4999999E-03
 C    5.298600      0.9061000      0.4156000    
 C   -2.551000      -3.031000      0.8994000    
 C    6.428800       1.803800     -9.2799999E-02
 C    7.464100       2.067800       1.000300    
 C    8.571300       2.986500      0.5087000    
 H   -2.977600      0.3610000     -0.5959000    
 H   -1.101600      0.7053000      -2.064600    
 H   -1.802700       2.707500       1.007900    
 H   0.6314000       1.137000      0.2023000    
 H   -3.151900       1.750200       2.845000    
 H   -3.816600      0.5254000       1.767000    
 H   0.2895000       2.473700      -1.708700    
 H    1.821400      0.4699000      -1.616400    
 H    2.673300     -0.9758000      -2.093500    
 H    4.789500      0.1499000      -1.547200    
 H    3.869700       1.569600      -1.039200    
 H   -5.183000      0.2954000     -0.2076000    
 H    4.798100       1.395800       1.260900    
 H    5.746700     -1.8900000E-02  0.7980000    
 H    6.011200       2.755800     -0.4427000    
 H    6.918200       1.330000     -0.9526000    
 H   -3.531600      -3.084000       1.360200    
 H    3.073600      -2.022900      0.7443000    
 H    4.053100      -2.030500     -0.5701000    
 H    7.903500       1.120700       1.334300    
 H    6.978800       2.525200       1.870400    
 H   0.7782000      -5.394400     -0.7929000    
 H  -0.6062000      -6.283000     -0.1820000    
 H    9.300800       3.161100       1.305700    
 H    9.098000       2.544800     -0.3432000    
 H    8.168300       3.956000      0.1988000    


%chk=000161999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161999

0 1
P -4.335177 1.901324 0.621699
O -0.072755 0.801683 1.035252
O -3.028936 2.421410 -0.504214
O -3.467196 2.049901 2.142716
O -0.063418 2.736792 -1.384931
O -4.488297 0.228130 0.332919
O -5.648856 2.755435 0.549143
N -0.003925 -0.921123 -0.665111
N 0.756058 -3.068617 -1.003080
N 3.032519 -0.325113 -0.255191
N -2.446892 -1.543475 -0.167759
N 2.928486 -0.774215 1.103061
N -2.822519 -3.967292 -0.308080
N -1.083066 -5.472516 -0.836156
C -1.919075 1.509209 -0.236751
C -0.756859 1.465366 -1.219076
C -1.241722 1.716810 1.132997
C 0.183417 0.532425 -0.411737
C -2.185501 1.295093 2.273378
C 1.100580 -1.771010 -0.960227
C -1.123032 -1.777518 -0.486470
C 2.500910 -1.300054 -1.257650
C -0.613245 -3.084789 -0.717286
C 4.420987 0.110746 -0.591501
C -1.502360 -4.193847 -0.623149
C 4.851562 1.342265 0.219812
C -3.211503 -2.685886 -0.102340
C 6.318807 1.743392 -0.052783
C 6.760908 2.985097 0.755348
C 8.229271 3.383089 0.492700
H -2.284781 0.472715 -0.251410
H -1.039062 1.026598 -2.195504
H -0.894069 2.758162 1.258245
H 1.250975 0.748663 -0.595390
H -1.810404 1.578959 3.267600
H -2.370298 0.204127 2.238286
H -0.732162 3.429551 -1.622112
H 2.537749 -0.809435 -2.250984
H 3.114463 -2.228510 -1.324151
H 5.144830 -0.724350 -0.424897
H 4.435354 0.348172 -1.674050
H -3.658271 -0.367241 0.149854
H 4.175955 2.186137 -0.022786
H 4.710507 1.113602 1.292708
H 6.461008 1.947185 -1.135424
H 6.988066 0.892417 0.194854
H -4.266756 -2.535320 0.144832
H 2.087389 -0.420874 1.569371
H 3.134309 -1.771717 1.261652
H 6.617153 2.783474 1.836254
H 6.095131 3.836551 0.507419
H -0.108619 -5.653548 -1.071484
H -1.754468 -6.234522 -0.758138
H 8.519321 4.272308 1.082082
H 8.917939 2.559875 0.761995
H 8.391473 3.619212 -0.576152


