%chk=000087395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087395

0 1
 P   0.2489000     -0.4239000      9.2900001E-02
 N  -0.8446000      0.2191000       1.153900    
 N   0.2780000      0.4492000      -1.271800    
 C  -0.1187000      -2.085200     -0.4340000    
 C    1.926400     -0.4635000      0.6873000    
 C   -2.226900      0.4335000      0.9565000    
 C  -0.6588000      -2.984900      0.4735000    
 C    2.947700     -0.8398000     -0.1738000    
 C   0.1398000      -2.458200      -1.744900    
 C    2.192900     -0.1177000       2.004700    
 C   0.5477000       1.817400      -1.168000    
 C  -0.9466000      -4.286000      6.1000001E-02
 C    4.262200     -0.8710000      0.2920000    
 C  -0.1481000      -3.759100      -2.157400    
 C    3.507400     -0.1488000       2.470400    
 C   -3.013900      0.9074000       2.004500    
 C   -2.800100      0.1717000     -0.2867000    
 C  -0.6913000      -4.673000      -1.254500    
 C    4.542100     -0.5254000       1.614100    
 C    1.863300       2.275900      -1.234500    
 C  -0.4989000       2.723600     -0.9968000    
 C   -4.378500       1.120100       1.808800    
 C   -4.164700      0.3845000     -0.4824000    
 C   -4.954000      0.8587000      0.5654000    
 C    2.132400       3.640500      -1.129700    
 C  -0.2297000       4.088200     -0.8921000    
 C    1.085900       4.546700     -0.9586000    
 H  -0.5690000      0.4725000       2.099500    
 H  -0.8559000      -2.690800       1.499700    
 H    2.746000      -1.106200      -1.206000    
 H   0.5685000      -1.767100      -2.462900    
 H    1.405600      0.1732000       2.690000    
 H   -1.368500      -4.997800      0.7645000    
 H    5.067900      -1.162900     -0.3752000    
 H   5.2299999E-02  -4.061300      -3.181200    
 H    3.725400      0.1191000       3.500100    
 H   -2.579300       1.115700       2.978700    
 H   -2.227000     -0.2056000      -1.125800    
 H  -0.9148000      -5.686200      -1.575600    
 H    5.565500     -0.5494000       1.976700    
 H    2.690000       1.593600      -1.399200    
 H   -1.532200       2.402000     -0.9809000    
 H   -4.993100       1.489300       2.624600    
 H   -4.613400      0.1793000      -1.449900    
 H   -6.016500       1.024000      0.4132000    
 H    3.156200       3.998300      -1.189000    
 H   -1.045200       4.794800     -0.7681000    
 H    1.295200       5.609600     -0.8809000    


%chk=000087395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087395

0 1
P 0.350003 -0.301132 -0.013882
N -0.849078 0.137858 1.229485
N 0.535605 0.539740 -1.444839
C -0.131980 -2.008418 -0.557402
C 1.866800 -0.376129 1.101440
C -2.249207 0.278048 1.039201
C -0.695936 -2.915846 0.368386
C 3.078900 0.143191 0.589261
C 0.105923 -2.393775 -1.896947
C 1.828847 -0.977265 2.383245
C 0.826005 1.919641 -1.550338
C -1.022048 -4.224817 -0.051025
C 4.253606 0.075021 1.370768
C -0.221213 -3.704675 -2.307944
C 3.008335 -1.043580 3.159816
C -3.072047 0.553494 2.166151
C -2.848804 0.144506 -0.242822
C -0.780014 -4.622095 -1.386579
C 4.219981 -0.516534 2.655178
C 1.045213 2.417459 -2.872330
C 0.904554 2.852326 -0.467920
C -4.468204 0.681544 2.012976
C -4.247859 0.262492 -0.378744
C -5.068684 0.529798 0.741313
C 1.342070 3.775760 -3.096615
C 1.199379 4.212305 -0.702815
C 1.423914 4.688091 -2.015410
H -0.469942 0.523119 2.098766
H -0.910117 -2.594576 1.393712
H 3.095995 0.595203 -0.408517
H 0.523142 -1.655573 -2.588937
H 0.896179 -1.400987 2.773461
H -1.469031 -4.928093 0.659887
H 5.191068 0.483655 0.978716
H -0.041011 -4.009520 -3.344595
H 2.982543 -1.509913 4.150852
H -2.616977 0.661529 3.159169
H -2.224431 -0.020936 -1.127232
H -1.032223 -5.638468 -1.709507
H 5.133320 -0.569636 3.258051
H 0.973829 1.709785 -3.705106
H 0.721282 2.511594 0.559112
H -5.087668 0.896748 2.891296
H -4.696146 0.159198 -1.373412
H -6.153128 0.627043 0.624876
H 1.506753 4.127139 -4.122419
H 1.249592 4.904991 0.146150
H 1.650508 5.744791 -2.193833


