%chk=000096838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096838

0 1
 P   0.4974000      0.2931000     -0.1209000    
 O   0.8392000       1.275700      -1.218600    
 N    1.562400     -0.9841000     -2.1400001E-02
 N   0.5480000      0.9612000       1.404500    
 N   -1.029600     -0.3902000     -0.2749000    
 C    2.831100     -0.8858000     -0.7240000    
 C    1.732300      -1.774400      -1.229500    
 C   0.7505000       2.400100       1.473100    
 C    1.844900       1.445200       1.851000    
 C    4.063400      -1.490400     -0.1651000    
 C   -1.390800      -1.441400      0.6830000    
 C   -2.164400      0.5315000     -0.4026000    
 C   -2.593400      -2.211000      0.2302000    
 C   -1.870500       1.637800      -1.368500    
 C   -3.729300      -2.303700      0.9309000    
 C   -1.891100       2.936400      -1.047100    
 H    3.041600      2.3800001E-02  -1.270800    
 H    1.809400      -2.842700      -1.079600    
 H    1.192600      -1.465200      -2.114600    
 H   0.2233000       2.907400       2.270100    
 H   0.8644000       2.967600      0.5614000    
 H    2.689700       1.363300       1.181700    
 H    2.060100       1.308800       2.901800    
 H    4.564300     -0.7797000      0.5001000    
 H    4.758400      -1.746500     -0.9711000    
 H    3.858200      -2.401100      0.4079000    
 H   -1.539400      -1.017100       1.683900    
 H  -0.5769000      -2.168200      0.7742000    
 H   -2.425000      0.9510000      0.5778000    
 H   -3.054500      2.6900001E-02 -0.7945000    
 H   -2.526700      -2.733600     -0.7211000    
 H   -1.659800       1.362200      -2.399300    
 H   -4.563700      -2.882500      0.5503000    
 H   -3.847600      -1.807100       1.887600    
 H   -1.683300       3.690900      -1.797900    
 H   -2.110900       3.268600     -3.8699999E-02


%chk=000096838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096838

0 1
P 0.556439 0.318331 -0.308512
O 0.820244 1.201410 -1.630320
N 1.403956 -1.252164 -0.245852
N 1.155358 1.070834 1.224314
N -1.089136 -0.180733 -0.042495
C 2.908754 -1.258560 -0.456496
C 1.987994 -1.763923 -1.552318
C 0.793911 2.533554 1.445779
C 2.213570 2.158291 1.078783
C 3.699974 -2.183720 0.445453
C -1.389243 -1.386514 0.778609
C -2.218829 0.784004 -0.138094
C -2.383363 -2.296238 0.082564
C -2.025245 1.926956 -1.111402
C -3.536911 -2.748805 0.635037
C -2.349399 3.212211 -0.819815
H 3.370684 -0.280945 -0.659648
H 1.862775 -2.841122 -1.702440
H 1.859865 -1.129348 -2.438938
H 0.542430 2.772173 2.483955
H 0.197088 3.041349 0.677194
H 2.541668 2.408646 0.061818
H 2.990278 2.126495 1.848989
H 3.845373 -1.725831 1.440183
H 4.693841 -2.395182 0.008641
H 3.166486 -3.139659 0.584679
H -1.780144 -1.086750 1.774805
H -0.435604 -1.923683 0.931298
H -2.465360 1.189525 0.869489
H -3.096339 0.186125 -0.462627
H -2.101572 -2.597877 -0.937161
H -1.641889 1.663129 -2.104154
H -4.202484 -3.433998 0.098256
H -3.842751 -2.452953 1.647037
H -2.257748 4.005905 -1.568752
H -2.720373 3.505866 0.171439


