%chk=000026958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026958

0 1
 P    2.860500      0.9777000     -0.8040000    
 O    2.951800       2.394300     -1.0900000E-02
 O    1.254300      0.7511000     -0.9056000    
 O    3.487400       1.063300      -2.171600    
 N    3.432100     -0.2104000      0.1989000    
 C   -1.322300      -2.133300       1.491000    
 C  -0.8525000      -3.396300      0.7633000    
 C   -2.060900      -1.146300      0.5828000    
 C   0.1689000      -3.117600     -0.3416000    
 C   -2.567800      6.0199998E-02   1.377700    
 C    1.438300      -2.476800      0.2259000    
 C   -3.297500       1.094400      0.5154000    
 C    2.471800      -2.223900     -0.8761000    
 C   -4.572200      0.5532000     -0.1355000    
 C    3.731200      -1.519600     -0.3685000    
 C   -5.297300       1.645100     -0.9237000    
 C   -6.585000       1.124400      -1.541900    
 C    2.247500       2.580600       1.205400    
 C    2.511700       3.979900       1.718900    
 H  -0.4905000      -1.636000       2.000300    
 H   -2.008100      -2.449200       2.288200    
 H  -0.4178000      -4.087200       1.495800    
 H   -1.718500      -3.907500      0.3257000    
 H   -1.397800     -0.7885000     -0.2117000    
 H   -2.896400      -1.668700      0.1053000    
 H   0.4290000      -4.069000     -0.8217000    
 H  -0.2643000      -2.484500      -1.123300    
 H   -3.236700     -0.2797000       2.177900    
 H   -1.717300      0.5534000       1.864500    
 H    1.873300      -3.126500      0.9948000    
 H    1.192700      -1.525300      0.7049000    
 H   -2.616600       1.465600     -0.2605000    
 H   -3.551900       1.952900       1.149200    
 H    2.768600      -3.187300      -1.309900    
 H    2.020100      -1.650200      -1.693800    
 H   -4.332500     -0.2697000     -0.8174000    
 H   -5.237600      0.1528000      0.6388000    
 H    4.459100      -1.418500      -1.180800    
 H    4.198500      -2.140200      0.4047000    
 H   -4.644400       2.027500      -1.716900    
 H   -5.533200       2.487500     -0.2631000    
 H    4.234400      6.9399998E-02  0.7638000    
 H   -7.273500      0.7652000     -0.7704000    
 H   -7.086400       1.920900      -2.100400    
 H   -6.382800      0.3000000      -2.233200    
 H    2.584000       1.842200       1.939300    
 H    1.175600       2.444800       1.033400    
 H   0.7383000       1.306300      -1.528200    
 H    3.583300       4.134600       1.882600    
 H    2.190800       4.726800      0.9853000    
 H    1.981800       4.157800       2.658800    


%chk=000026958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026958

0 1
P 2.278866 1.208008 -0.827255
O 2.525832 2.411732 0.379299
O 0.519939 1.086138 -0.779385
O 2.769439 1.397687 -2.331365
N 2.971583 -0.087312 0.027738
C -1.276724 -2.712885 1.777936
C -0.761536 -3.921593 0.953102
C -1.955235 -1.604421 0.940243
C 0.184506 -3.557458 -0.220090
C -2.582312 -0.493865 1.816530
C 1.430610 -2.744330 0.198075
C -3.016388 0.762885 1.023036
C 2.290374 -2.303763 -1.004692
C -4.122504 0.503184 -0.026570
C 3.433007 -1.329666 -0.630071
C -4.607012 1.795080 -0.724097
C -5.698002 1.538192 -1.786214
C 1.796723 3.708689 0.287472
C 2.223107 4.519412 1.507738
H -0.438663 -2.264724 2.350213
H -1.996243 -3.085977 2.536458
H -0.241229 -4.624580 1.636352
H -1.632426 -4.473186 0.542402
H -1.211546 -1.135050 0.264706
H -2.731040 -2.061003 0.292189
H 0.505527 -4.491029 -0.726852
H -0.379016 -2.976420 -0.978139
H -3.453621 -0.905811 2.368344
H -1.840805 -0.190415 2.584807
H 2.046337 -3.340065 0.904843
H 1.103567 -1.837920 0.742576
H -2.123911 1.190578 0.519497
H -3.378233 1.534859 1.734197
H 2.736616 -3.188464 -1.503472
H 1.641374 -1.814238 -1.759858
H -3.754498 -0.206156 -0.795346
H -4.987017 0.008239 0.465059
H 4.005352 -1.055065 -1.535597
H 4.137788 -1.816501 0.069682
H -3.739190 2.300288 -1.196712
H -4.992406 2.497951 0.042932
H 2.975059 -0.027137 1.045800
H -6.587834 1.062321 -1.332299
H -6.026311 2.477627 -2.268345
H -5.326685 0.862346 -2.579853
H 0.709636 3.505611 0.283578
H 2.080352 4.214283 -0.655504
H 0.134858 1.102681 -1.693386
H 1.946169 3.996076 2.438644
H 3.314409 4.679565 1.506210
H 1.722553 5.505302 1.497344


