%chk=000171071.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171071

0 1
 O   -4.154500       2.212300     -5.9500001E-02
 N    2.083600     -3.9999999E-02 -0.5854000    
 N   -1.614500     -0.1486000     -0.1487000    
 N    5.645300     -5.9099998E-02  0.5112000    
 N    9.344800      4.9400002E-02  7.3700003E-02
 C   0.8136000     -0.1239000      0.1276000    
 C    3.204500     -0.1223000      0.3399000    
 C  -0.3489000     -4.7200002E-02 -0.8576000    
 C    4.522500      5.5999998E-03 -0.4180000    
 C   -2.738600     -4.9699999E-02  -1.080300    
 C    6.912400      3.4899998E-02 -0.1994000    
 C   -4.058300     -0.1600000     -0.3906000    
 C    8.074700     -2.6799999E-02  0.7872000    
 C   -4.708800      0.9766000      8.9800000E-02
 C   -4.640300      -1.417300     -0.2288000    
 C   -5.941300      0.8558000      0.7318000    
 C   -5.872800      -1.538000      0.4133000    
 C   -6.523200     -0.4017000      0.8936000    
 H   0.7351000      0.6946000      0.8547000    
 H   0.7589000      -1.070400      0.6801000    
 H    3.179600      -1.082300      0.8705000    
 H    3.136100      0.6770000       1.089000    
 H  -0.2985000      0.9002000      -1.409600    
 H  -0.2621000     -0.8639000      -1.585300    
 H    4.543400      0.9612000     -0.9569000    
 H    4.597200     -0.8003000      -1.159300    
 H    2.127800      0.8355000      -1.106100    
 H   -1.677800      0.6010000      0.5403000    
 H   -2.690300      0.8913000      -1.643400    
 H   -2.666100     -0.8460000      -1.833400    
 H    5.608300     -0.9321000       1.036800    
 H    7.000000     -0.7861000     -0.9225000    
 H    6.960600      0.9788000     -0.7569000    
 H    8.042300     -0.9597000       1.361900    
 H    8.015000      0.8047000       1.498400    
 H   -4.144300      -2.312000     -0.5961000    
 H   -6.459400       1.732600       1.111100    
 H   -6.325700      -2.517000      0.5398000    
 H   -7.482700     -0.4959000       1.393600    
 H    10.11170     -4.2700000E-02  0.7386000    
 H    9.426700     -0.7388000     -0.5674000    
 H   -4.746800       2.875600      0.3344000    


%chk=000171071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171071

0 1
O -3.612538 1.915969 0.443005
N 2.076003 -0.119520 -0.559624
N -1.685920 -0.232914 -0.219979
N 5.724235 -0.060307 0.451724
N 9.478344 0.214171 0.131765
C 0.767266 -0.202675 0.121695
C 3.243429 -0.102034 0.347440
C -0.377474 -0.248921 -0.905712
C 4.557524 -0.098885 -0.455808
C -2.837948 -0.289692 -1.155103
C 7.033928 0.046829 -0.223142
C -4.174108 -0.260827 -0.431576
C 8.170409 0.168039 0.810559
C -4.551558 0.859905 0.355761
C -5.097207 -1.327135 -0.527126
C -5.797419 0.918280 1.019028
C -6.352725 -1.288458 0.124698
C -6.701838 -0.160814 0.899727
H 0.589361 0.651501 0.827868
H 0.740233 -1.125893 0.729718
H 3.197032 -1.016876 0.974086
H 3.254449 0.768100 1.048091
H -0.255633 0.603026 -1.629314
H -0.290712 -1.179712 -1.497372
H 4.596436 0.809979 -1.091545
H 4.554050 -0.975561 -1.148035
H 2.101888 0.677648 -1.212747
H -1.777228 0.594579 0.388383
H -2.811390 0.551215 -1.895535
H -2.763445 -1.229388 -1.734776
H 5.708565 -0.851570 1.112092
H 7.249577 -0.819354 -0.903527
H 7.037377 0.953305 -0.856028
H 8.071471 -0.668259 1.550084
H 8.028348 1.107290 1.374180
H -4.821326 -2.205142 -1.122917
H -6.061637 1.796144 1.623867
H -7.046733 -2.129953 0.030221
H -7.668633 -0.117407 1.412804
H 10.251363 0.555486 0.708340
H 9.720565 -0.639800 -0.379259
H -3.977182 2.664930 0.976087


