%chk=000097084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097084

0 1
 P   0.1862000     -1.5000000E-03  -1.108400    
 N  -0.6753000      -1.348500     -0.4903000    
 N    1.711600     -4.2100001E-02 -0.3273000    
 N  -0.6232000       1.369500     -0.4986000    
 C  -0.8839000      -1.340100      0.9668000    
 C   -1.928300      -1.647000      -1.202800    
 C    2.623800       1.044700     -0.7192000    
 C    2.395100      -1.345300     -0.3613000    
 C   -2.030200       1.519200     -0.8672000    
 C  -0.3749000       1.696200      0.9149000    
 C   -1.447800      -2.672800       1.465400    
 C   -2.522100      -2.988400     -0.7664000    
 C    3.862000       1.096100      0.1789000    
 C    3.626700      -1.362100      0.5471000    
 C   -2.475400       2.979900     -0.7174000    
 C   -1.407700       2.649400       1.533600    
 C   -2.735800      -3.037500      0.7402000    
 C    4.592800     -0.2394000      0.1950000    
 C   -1.893400       3.669700      0.5169000    
 H   -1.613700     -0.5800000       1.266200    
 H   5.2600000E-02  -1.187800       1.515500    
 H   -1.745400      -1.709500      -2.284100    
 H   -2.707100     -0.8987000      -1.054900    
 H    2.139800       2.026900     -0.6604000    
 H    2.943100      0.9178000      -1.763600    
 H    2.698400      -1.594600      -1.387900    
 H    1.747200      -2.159800     -1.7000001E-02
 H   -2.677300      0.9179000     -0.2189000    
 H   -2.222800       1.226800      -1.907500    
 H   0.5790000       2.239500      0.9514000    
 H  -0.2377000      0.8731000       1.612200    
 H   -1.635700      -2.615800       2.543800    
 H  -0.7042000      -3.465300       1.312200    
 H   -1.849000      -3.801500      -1.067000    
 H   -3.474800      -3.157500      -1.281100    
 H    3.562300       1.363300       1.200300    
 H    4.539900       1.882700     -0.1714000    
 H    4.137100      -2.328100      0.4598000    
 H    3.311400      -1.260300       1.593400    
 H   -3.571000       3.010300     -0.6727000    
 H   -2.186900       3.552000      -1.608000    
 H  -0.9681000       3.162100       2.396800    
 H   -2.263200       2.072700       1.907100    
 H   -3.067400      -4.037200       1.041300    
 H   -3.529400      -2.334900       1.022600    
 H    5.034100     -0.4293000     -0.7910000    
 H    5.415900     -0.2100000      0.9172000    
 H   -1.052000       4.305500      0.2136000    
 H   -2.641300       4.333800      0.9644000    


%chk=000097084-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097084

0 1
P -0.478589 -0.009892 -1.137633
N -1.087134 -1.465452 -0.283690
N 1.194882 -0.045900 -0.368978
N -1.044983 1.476318 -0.324087
C -0.926776 -1.730398 1.163125
C -2.236739 -2.165716 -0.896441
C 2.027621 1.162858 -0.605527
C 1.981966 -1.286452 -0.603678
C -2.009853 2.335826 -1.039194
C -0.956588 1.737983 1.133916
C -0.784227 -3.247895 1.428304
C -2.120290 -3.694361 -0.690340
C 3.209205 1.188033 0.389022
C 3.164949 -1.353576 0.388119
C -1.541409 3.821434 -1.021477
C -1.242918 3.236556 1.441092
C -1.973256 -4.025468 0.814161
C 4.059609 -0.097944 0.262266
C -0.752579 4.135422 0.284114
H -1.813217 -1.354669 1.730051
H -0.036947 -1.180072 1.516195
H -2.268145 -1.917585 -1.974357
H -3.199959 -1.820395 -0.446881
H 1.392818 2.057203 -0.485617
H 2.433618 1.176427 -1.648882
H 2.384178 -1.316049 -1.648171
H 1.314927 -2.155819 -0.481005
H -3.019760 2.256145 -0.575992
H -2.109310 1.970945 -2.078395
H 0.060212 1.459292 1.468700
H -1.674798 1.104467 1.702653
H -0.723753 -3.428735 2.519845
H 0.162717 -3.606576 0.978499
H -1.233544 -4.062570 -1.242713
H -3.013489 -4.195061 -1.113547
H 2.805559 1.268446 1.417573
H 3.830987 2.085557 0.200489
H 3.754581 -2.271780 0.196040
H 2.761070 -1.423115 1.417408
H -2.429392 4.479819 -1.103295
H -0.901348 4.025911 -1.900312
H -0.754019 3.512871 2.394481
H -2.330252 3.393153 1.584922
H -1.844611 -5.114715 0.962981
H -2.907169 -3.736284 1.341187
H 4.557665 -0.106281 -0.729980
H 4.861271 -0.112333 1.025289
H 0.326747 3.949715 0.122824
H -0.855530 5.204814 0.549136


