%chk=000029469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029469

2 1
 P   0.1331000      0.4423000     -0.5730000    
 O   5.9300002E-02  -1.184800     -0.6829000    
 O   0.1562000       1.035700      -1.962600    
 N    5.192900      0.3904000      0.2678000    
 N   -4.916700      0.7114000      0.2935000    
 N    1.483300      0.7855000      0.3410000    
 N   -1.189800      0.8905000      0.3352000    
 C    3.868500      0.7404000      0.8368000    
 C   -3.563700      0.8570000      0.8839000    
 C    2.797600      0.4922000     -0.2121000    
 C   -2.525100      0.7049000     -0.2146000    
 C    5.246800      -1.095000     -0.1165000    
 C    5.481700       1.219200     -0.9918000    
 C    6.312100      0.6607000       1.283200    
 C   -5.176100       1.804200     -0.7531000    
 C   -5.068000     -0.6527000     -0.3941000    
 C   -5.999600      0.8221000       1.376100    
 C   9.2100002E-02  -1.990600      0.4837000    
 C  -0.4773000      -3.361200      0.1507000    
 C   -1.907300      -3.272000     -0.3512000    
 H    3.891900       1.794500       1.140300    
 H    3.710000      0.1252000       1.731400    
 H   -3.440600      8.7700002E-02   1.656500    
 H   -3.504600       1.842300       1.362700    
 H    2.921000       1.131500      -1.089500    
 H    2.781200     -0.5485000     -0.5418000    
 H   -2.554900     -0.2922000     -0.6580000    
 H   -2.640900       1.437900      -1.015900    
 H    6.288200      -1.349700     -0.3383000    
 H    4.646600      -1.274300      -1.011400    
 H    4.888600      -1.685600      0.7317000    
 H    4.859200      0.8721000      -1.820000    
 H    6.533100       1.072500      -1.259700    
 H    5.296200       2.272700     -0.7631000    
 H    7.271400      0.3911000      0.8318000    
 H    6.119600      5.0500002E-02   2.170500    
 H    6.291800       1.724800       1.535600    
 H   -4.920100       2.772500     -0.3136000    
 H   -4.592700       1.606900      -1.655200    
 H   -6.239500       1.778800      -1.012600    
 H   -4.744800      -1.429700      0.3043000    
 H   -6.125200     -0.7899000     -0.6437000    
 H   -4.486400     -0.6745000      -1.318900    
 H   -5.831400      2.5800001E-02   2.107100    
 H   -5.907900       1.804500       1.848500    
 H   -6.981300      0.7113000      0.9064000    
 H    1.443100      0.4595000       1.306500    
 H   -1.136800       1.811800      0.7693000    
 H    1.130200      -2.089500      0.8157000    
 H  -0.4859000      -1.525300       1.288100    
 H  -0.4367000      -4.000700       1.039000    
 H   0.1337000      -3.833400     -0.6275000    
 H   -2.552000      -2.788100      0.3890000    
 H   -1.972400      -2.709300      -1.287700    
 H   -2.303300      -4.275200     -0.5386000    


%chk=000029469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029469

2 1
P 0.592110 -0.120907 0.045330
O -0.208518 -1.522825 -0.575284
O 1.409176 0.593626 -1.124598
N 5.024572 0.722786 -0.031969
N -4.576058 0.880034 0.315477
N 1.652850 -0.441278 1.380641
N -0.735281 0.709554 0.831436
C 3.779649 0.755073 0.885244
C -3.184738 0.555897 0.921245
C 3.098825 -0.623164 1.118345
C -1.970192 1.002376 0.071989
C 6.139769 -0.116161 0.588559
C 4.665928 0.177115 -1.425173
C 5.512782 2.166710 -0.190708
C -4.827040 2.389741 0.298897
C -4.699721 0.323255 -1.105125
C -5.638411 0.216364 1.200129
C -0.569841 -2.669168 0.324590
C -1.306904 -3.694536 -0.538468
C -2.656118 -3.189955 -1.087731
H 3.059883 1.418615 0.380454
H 4.098998 1.208465 1.839202
H -3.147974 -0.537417 1.062321
H -3.162761 1.038956 1.913837
H 3.243665 -1.278141 0.239232
H 3.533626 -1.142616 1.988307
H -1.932925 0.433385 -0.872625
H -2.023309 2.077307 -0.185202
H 7.002599 -0.124070 -0.094964
H 5.785321 -1.146624 0.737810
H 6.433267 0.325783 1.553334
H 4.643065 -0.921738 -1.396700
H 5.442605 0.501696 -2.133996
H 3.674086 0.559078 -1.716154
H 6.445710 2.167757 -0.774557
H 5.696392 2.600775 0.804104
H 4.741779 2.746576 -0.720101
H -4.759509 2.777641 1.326784
H -4.083709 2.883737 -0.342638
H -5.835191 2.577132 -0.101412
H -4.417714 -0.740559 -1.102054
H -5.743763 0.432971 -1.435551
H -4.042764 0.886751 -1.783216
H -5.508593 -0.875812 1.161076
H -5.521740 0.572751 2.235022
H -6.637587 0.485481 0.825195
H 1.284615 -0.750351 2.281960
H -0.464206 1.411033 1.528920
H 0.361459 -3.096328 0.742509
H -1.207979 -2.297333 1.153466
H -1.463896 -4.598101 0.082839
H -0.648194 -3.993844 -1.373556
H -3.346937 -2.925316 -0.259937
H -2.503889 -2.310625 -1.739698
H -3.148868 -3.973355 -1.687938


