%chk=000170118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170118

0 1
 P    5.026400      0.2908000     -0.7222000    
 O    1.432500     -2.5900001E-02   1.660500    
 O    3.712700     -0.6211000      -1.025000    
 O    4.977300      0.6217000      0.8683000    
 O    1.768000      -2.504700     -0.3491000    
 O    4.700800       1.711500      -1.427000    
 O    6.319000     -0.3223000      -1.180200    
 N  -0.6333000      7.7000000E-02  0.4790000    
 N   -1.842700       1.925100      7.9899997E-02
 N   -2.354500      -1.637000      0.3041000    
 N   -4.453800     -0.6463000     -0.1879000    
 N   -4.902100       1.527600     -0.4708000    
 C    2.526500     -0.2198000     -0.3778000    
 C    2.743300     -0.1807000       1.120500    
 C    1.340400      -1.151700     -0.4748000    
 C   0.5354000     -0.7517000      0.7765000    
 C    3.722400      0.9173000       1.483600    
 C   -1.914500     -0.3482000      0.2715000    
 C  -0.6425000       1.448100      0.3533000    
 C   -2.618800      0.8135000      3.1099999E-02
 C   -3.969000      0.6457000     -0.2122000    
 C   -3.637300      -1.761500      6.9700003E-02
 C   -5.792100     -0.5771000     -0.4502000    
 C   -6.044000      0.7697000     -0.6206000    
 H    2.223600      0.7653000     -0.7547000    
 H    3.156800      -1.136400       1.472800    
 H   0.7977000      -1.057800      -1.420200    
 H   0.1757000      -1.624800       1.333200    
 H    3.374600       1.904200       1.160500    
 H    3.865500      0.9640000       2.567600    
 H   0.9707000      -3.061500     -0.3513000    
 H   0.2518000       2.045800      0.4672000    
 H    3.891000       2.204500      -1.176900    
 H   -4.105800      -2.758900      7.0500001E-02
 H   -6.426400      -1.451300     -0.4923000    
 H   -6.993800       1.233400     -0.8445000    


%chk=000170118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170118

0 1
P 5.286475 0.249091 -0.281614
O 1.160565 -0.155367 1.405950
O 3.919818 -0.582047 -0.992469
O 4.902165 0.325412 1.411657
O 1.807790 -2.384009 -0.922215
O 4.945690 1.843952 -0.859087
O 6.701845 -0.358786 -0.599499
N -0.722187 0.055007 -0.053394
N -1.980618 1.882578 -0.640516
N -2.527910 -1.547414 0.498321
N -4.712791 -0.617996 0.205400
N -5.290800 1.502819 -0.503825
C 2.641247 -0.121587 -0.411472
C 2.587988 -0.352474 1.113288
C 1.454394 -0.969577 -0.901446
C 0.416578 -0.786379 0.257679
C 3.497768 0.624160 1.858204
C -2.068243 -0.322083 0.089014
C -0.738050 1.389347 -0.486049
C -2.826713 0.819643 -0.286546
C -4.248284 0.694797 -0.237699
C -3.852468 -1.663207 0.548273
C -6.116239 -0.554573 0.191711
C -6.434035 0.735005 -0.239595
H 2.491657 0.950992 -0.642535
H 2.897550 -1.393865 1.334987
H 1.053743 -0.639391 -1.876922
H 0.032942 -1.776450 0.560101
H 3.247583 1.678023 1.638123
H 3.526033 0.454570 2.944385
H 2.683469 -2.479690 -1.382323
H 0.172278 1.960371 -0.650995
H 5.741209 2.410431 -1.025385
H -4.304042 -2.605230 0.866852
H -6.737950 -1.397943 0.478198
H -7.426954 1.158369 -0.376456


