%chk=000128061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128061

0 1
 P   4.3900002E-02   1.558200      6.3699998E-02
 O    1.545400       1.258500      0.6396000    
 O  -0.6287000      9.7499996E-02  0.3390000    
 O  -0.6001000       2.576500      0.9811000    
 O   0.1284000       1.799800      -1.428900    
 N    4.604900     -0.7510000     -8.6499996E-02
 N   -6.034700      -1.046400     -0.2873000    
 C    3.707800      0.2171000      0.6712000    
 C    4.801000     -0.2521000      -1.510800    
 C    5.955200     -0.8419000      0.6097000    
 C    3.955800      -2.127200     -0.1160000    
 C    2.375300      0.3280000     -4.3000001E-02
 C   -1.959700     -0.1842000      0.1838000    
 C   -2.831500      0.8150000     -0.2354000    
 C   -2.427800      -1.466800      0.4483000    
 C   -4.663700     -0.7559000     -0.1283000    
 C   -4.187600      0.5284000     -0.3918000    
 C   -3.783900      -1.753500      0.2918000    
 H    3.583900     -0.1528000       1.696000    
 H    4.213600       1.188900      0.7227000    
 H    5.081800      0.8048000      -1.479200    
 H    5.608400     -0.8369000      -1.964100    
 H    3.892100     -0.4091000      -2.096900    
 H    5.793000      -1.197200       1.631700    
 H    6.587900      -1.543600      5.8200002E-02
 H    6.407400      0.1544000      0.6169000    
 H    3.665900      -2.401300      0.9026000    
 H    3.094500      -2.125600     -0.7881000    
 H    4.694200      -2.840000     -0.4976000    
 H    2.481800      0.7004000      -1.063400    
 H    1.838300     -0.6224000     -6.5399997E-02
 H   -2.507000       1.822100     -0.4691000    
 H   -1.745800      -2.246400      0.7758000    
 H   -4.863100       1.312900     -0.7235000    
 H   -4.142800      -2.758200      0.5003000    
 H   -6.380500      -1.977100     -9.5299996E-02
 H   -6.673500     -0.3233000     -0.5907000    


%chk=000128061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128061

0 1
P 0.879719 1.935523 0.364357
O 1.141823 0.823450 1.781567
O 0.065255 0.743573 -0.714337
O -0.058320 3.106678 0.886123
O 2.310419 2.111298 -0.370629
N 3.877038 -0.852934 -0.118077
N -5.240133 -1.231550 -0.358088
C 3.337095 -0.159317 1.169259
C 3.000994 -0.573609 -1.349870
C 5.255470 -0.261651 -0.390502
C 3.985611 -2.349893 0.111831
C 1.841633 -0.424136 1.504384
C -1.276364 0.307041 -0.567851
C -2.226334 0.908281 0.293497
C -1.657577 -0.796961 -1.365759
C -3.933524 -0.723813 -0.432957
C -3.535996 0.390893 0.357855
C -2.970292 -1.308429 -1.302882
H 4.013604 -0.496167 1.975691
H 3.450328 0.923707 0.984464
H 2.781778 0.515100 -1.365417
H 3.555904 -0.919829 -2.237415
H 2.048058 -1.113530 -1.259225
H 5.882661 -0.369304 0.508575
H 5.717615 -0.789253 -1.240107
H 5.122382 0.803685 -0.632232
H 4.690378 -2.542946 0.936472
H 2.990861 -2.741341 0.372475
H 4.342385 -2.834678 -0.810675
H 1.331958 -0.982694 0.691771
H 1.752537 -1.012435 2.433426
H -1.940971 1.779683 0.892125
H -0.922404 -1.236567 -2.049308
H -4.263185 0.865438 1.028876
H -3.250467 -2.161360 -1.934305
H -5.536419 -1.995247 -0.957137
H -5.933418 -0.787105 0.235124


