%chk=000145419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145419

0 1
 P  -0.1907000       1.101800      0.5343000    
 O  -0.1914000       1.160000       2.035400    
 N    1.040800      0.4528000     -0.3617000    
 N   -1.377900      0.3727000     -0.3598000    
 C   0.5318000     -0.3406000      -1.389100    
 C  -0.8192000     -0.3850000      -1.388300    
 C  -0.2454000       2.733500     -0.2151000    
 C    2.423900      0.7062000     -4.9600001E-02
 C   -2.774700      0.5428000     -5.2400000E-02
 C    3.137300     -0.5867000      0.3364000    
 C   -3.440900     -0.8064000      0.2031000    
 C    1.468600      -1.027900      -2.328600    
 C   -1.710000      -1.130000      -2.328500    
 C   -1.309900       3.616600      0.4009000    
 C    4.601200     -0.3603000      0.7226000    
 C   -2.840900      -1.543000       1.403500    
 C    5.265500      -1.655000       1.164600    
 C   -3.568100      -2.851500       1.672300    
 H   0.7276000       3.211900     -5.3300001E-02
 H  -0.3928000       2.679400      -1.299500    
 H    2.921300       1.177900     -0.9049000    
 H    2.493500       1.419900      0.7798000    
 H   -2.896300       1.167500      0.8394000    
 H   -3.279900       1.060400     -0.8755000    
 H    3.125900      -1.322500     -0.4677000    
 H    2.608000      -1.047100       1.181100    
 H   -3.476300      -1.459700     -0.6665000    
 H   -4.496200     -0.6007000      0.4312000    
 H   0.9922000      -1.214400      -3.296300    
 H    1.774100      -2.000400      -1.932700    
 H    2.353500     -0.4230000      -2.546700    
 H   -2.618100     -0.5694000      -2.569200    
 H   -1.965100      -2.115100      -1.927900    
 H   -1.211800      -1.303300      -3.287800    
 H   -1.218100       4.639300      2.1400001E-02
 H   -2.314300       3.265000      0.1563000    
 H   -1.216300       3.648000       1.490400    
 H    4.661600      0.3700000       1.537700    
 H    5.149200      5.7000000E-02 -0.1300000    
 H   -2.897700     -0.9095000       2.296400    
 H   -1.782300      -1.763900       1.228500    
 H    5.249900      -2.398500      0.3613000    
 H    6.309600      -1.471100       1.436600    
 H    4.757200      -2.079500       2.036200    
 H   -3.499200      -3.522500      0.8100000    
 H   -3.126100      -3.360300       2.534700    
 H   -4.626700      -2.675200       1.887800    


%chk=000145419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145419

0 1
P -0.182853 1.204522 0.188140
O -0.055691 0.829257 1.750032
N 1.099495 0.677707 -0.915238
N -1.398083 0.403865 -0.826175
C 0.582709 -0.152420 -1.973481
C -0.786860 -0.292522 -1.931819
C -0.351594 3.076602 -0.016508
C 2.494450 0.589106 -0.431549
C -2.792636 0.164507 -0.399952
C 2.812785 -0.682124 0.394658
C -3.063607 -1.193369 0.305773
C 1.539763 -0.664198 -3.016662
C -1.673783 -0.972290 -2.942566
C -1.397466 3.688077 0.936564
C 4.287029 -0.723229 0.855658
C -2.674640 -1.226767 1.801182
C 4.613258 -1.983341 1.686514
C -2.891302 -2.619402 2.430767
H 0.654669 3.490025 0.185071
H -0.586841 3.253825 -1.080133
H 3.170325 0.658463 -1.305951
H 2.694939 1.481717 0.194301
H -3.088119 0.986932 0.280716
H -3.436030 0.252000 -1.296632
H 2.585607 -1.581992 -0.212032
H 2.138916 -0.706646 1.272576
H -2.519976 -1.993531 -0.234923
H -4.145637 -1.424261 0.205063
H 1.008575 -1.267877 -3.769697
H 2.329999 -1.304010 -2.577767
H 2.046857 0.165473 -3.548494
H -2.351425 -0.252881 -3.444672
H -2.307809 -1.755329 -2.485391
H -1.065681 -1.454261 -3.724590
H -1.363386 4.791484 0.885518
H -2.422897 3.372491 0.672099
H -1.199388 3.378270 1.977333
H 4.505828 0.181293 1.459805
H 4.956668 -0.678348 -0.028705
H -3.282766 -0.475486 2.346926
H -1.621720 -0.909569 1.924851
H 4.435453 -2.903354 1.098232
H 5.668740 -1.990421 2.015823
H 3.975342 -2.034652 2.588320
H -2.265994 -3.381833 1.927995
H -2.621644 -2.618498 3.502819
H -3.947178 -2.942802 2.347000


