%chk=000114072.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114072

0 1
 P   -1.483800      0.5839000      0.2130000    
 P    1.477300      0.5449000     -0.3009000    
 O   2.0000001E-03 -4.8500001E-02  3.2900002E-02
 O   -1.778100       1.568900     -0.8933000    
 O    1.722800       1.818200      0.4731000    
 N   -2.506400     -0.7477000      0.2180000    
 N    2.550300     -0.6969000      8.1000002E-03
 N   -1.528500       1.212600       1.759500    
 N    1.474000      0.7591000      -1.966200    
 C   -2.316600      -1.735100     -0.8487000    
 C   -3.940600     -0.4850000      0.3710000    
 C    2.456300      -1.411200       1.278500    
 C    3.952400     -0.5346000     -0.3736000    
 C   -1.090900       2.589300       1.974800    
 C   -1.109800      0.3716000       2.879700    
 C   0.8941000     -0.3175000      -2.774600    
 C   0.9839000       2.045600      -2.469400    
 C   -3.024500      -3.039100     -0.5220000    
 C   -4.539500      5.8100000E-02 -0.9153000    
 C    3.086600      -2.790100       1.181100    
 C    4.719100      0.2537000      0.6746000    
 H   -2.578800      -1.362800      -1.843900    
 H   -1.248500      -1.976100     -0.9028000    
 H   -4.493300      -1.362100      0.7226000    
 H   -4.080500      0.2609000       1.162500    
 H    2.848400     -0.8406000       2.126500    
 H    1.395500      -1.571800       1.504800    
 H    4.443600      -1.491400     -0.5783000    
 H    4.005300      8.8999998E-03  -1.324000    
 H   -1.450900       3.239000       1.171100    
 H  -3.3000000E-03   2.671500       2.022400    
 H   -1.506300       2.986500       2.907600    
 H   -1.568100     -0.6198000       2.812800    
 H   -1.423600      0.7997000       3.837800    
 H  -2.2700001E-02  0.2423000       2.890400    
 H    1.301500      -1.286900      -2.471000    
 H    1.142300     -0.1880000      -3.833600    
 H  -0.1947000     -0.3583000      -2.673200    
 H    1.413400       2.873200      -1.896500    
 H  -0.1015000       2.129900      -2.438000    
 H    1.302900       2.191400      -3.507700    
 H   -2.820700      -3.366000      0.5035000    
 H   -4.107200      -2.980200     -0.6673000    
 H   -2.662100      -3.828100      -1.190900    
 H   -4.027200      0.9392000      -1.302600    
 H   -4.602900     -0.6916000      -1.709200    
 H   -5.571900      0.3696000     -0.7150000    
 H    2.746900      -3.328800      0.2896000    
 H    4.180100      -2.754500       1.178200    
 H    2.794400      -3.387500       2.052100    
 H    4.221900       1.190800      0.9401000    
 H    4.899200     -0.3205000       1.588200    
 H    5.705100      0.5181000      0.2757000    


%chk=000114072-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114072

0 1
P -1.557974 0.549570 -0.064881
P 1.532320 0.570944 -0.085408
O -0.005097 -0.304607 0.015163
O -1.670386 1.422123 -1.405696
O 1.609742 1.723783 1.025886
N -2.567197 -0.835493 0.202188
N 2.568660 -0.818640 -0.027446
N -1.790975 1.514563 1.353119
N 1.764180 1.197363 -1.683654
C -2.191095 -2.175841 -0.316781
C -4.015157 -0.586603 0.442739
C 2.219672 -2.005052 0.795429
C 4.011123 -0.609600 -0.329745
C -1.565851 2.974388 1.250791
C -1.520199 0.929448 2.682795
C 1.482440 0.329512 -2.846609
C 1.532599 2.642753 -1.905824
C -2.030507 -3.211507 0.814584
C -4.827008 -0.283715 -0.838120
C 2.099233 -3.284388 -0.056982
C 4.822458 -0.003429 0.838809
H -2.960909 -2.515461 -1.039634
H -1.240637 -2.089037 -0.868731
H -4.417005 -1.483084 0.952359
H -4.104703 0.256429 1.151901
H 2.987799 -2.140907 1.584337
H 1.260319 -1.814308 1.303999
H 4.425772 -1.594397 -0.618123
H 4.083937 0.045360 -1.216789
H -1.763940 3.300925 0.216770
H -0.522604 3.234850 1.518200
H -2.266212 3.492442 1.932202
H -1.734256 -0.152609 2.667514
H -2.181709 1.408584 3.428693
H -0.463803 1.088351 2.981009
H 1.716955 -0.719278 -2.597446
H 2.123064 0.642347 -3.692114
H 0.418328 0.403161 -3.151308
H 1.759203 3.193953 -0.978539
H 0.481275 2.837994 -2.197072
H 2.210996 2.992348 -2.706255
H -1.211446 -2.910678 1.490857
H -2.955683 -3.307079 1.411741
H -1.793047 -4.207663 0.394898
H -4.434189 0.618798 -1.338435
H -4.777080 -1.121769 -1.557011
H -5.890876 -0.114238 -0.587087
H 1.280694 -3.175816 -0.789800
H 3.033447 -3.493155 -0.609773
H 1.883182 -4.158436 0.586498
H 4.427039 0.991863 1.107771
H 4.776070 -0.643451 1.738673
H 5.885441 0.104589 0.552538


