%chk=000157298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157298

0 1
 O   -2.573700      -1.684700     -8.7000001E-03
 N   -1.802500      0.5102000     -9.9999997E-05
 N   -4.112500      4.4599999E-02  2.6000000E-03
 C    3.820800     -0.2780000      3.0000001E-04
 C    2.344500     -5.2200001E-02  7.9999998E-04
 C    1.815900       1.238600     -5.9000002E-03
 C    1.491000      -1.155400      7.3000002E-03
 C    4.311700      -1.018300      -1.256700    
 C    4.315000      -1.005200       1.263700    
 C   0.4336000       1.426100     -5.9000002E-03
 C  -0.3982000      0.3201000      6.9999998E-04
 C   0.1087000     -0.9677000      7.3000002E-03
 C    2.710100       2.434800     -1.3200000E-02
 C   -2.795900     -0.4721000      5.1000002E-03
 C   -5.284700     -0.8212000     -1.6300000E-02
 C   -4.383700       1.480500      1.8999999E-02
 H    4.362500      0.6725000     -5.2999998E-03
 H    1.881000      -2.169700      1.3000000E-02
 H    3.919100      -2.039400      -1.310100    
 H    5.405300      -1.082300      -1.264200    
 H    3.999800     -0.4906000      -2.165000    
 H    4.005500     -0.4682000       2.167300    
 H    5.408700      -1.069100       1.269000    
 H    3.922600      -2.025700       1.328700    
 H   1.5200000E-02   2.429400     -1.1200000E-02
 H  -0.4732000      -1.875900      1.4700000E-02
 H    3.335800       2.449200     -0.9118000    
 H    2.132700       3.366400     -1.7600000E-02
 H    3.337500       2.458800      0.8840000    
 H   -2.082400       1.484800     -5.2000000E-03
 H   -5.873600     -0.5979000     -0.9106000    
 H   -5.881400     -0.6267000      0.8795000    
 H   -4.998100      -1.875500     -3.1900000E-02
 H   -5.461800       1.665600      4.5499999E-02
 H   -3.968700       1.937100     -0.8845000    
 H   -3.928500       1.927400      0.9079000    


%chk=000157298-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157298

0 1
O -2.693855 -1.714756 -0.004812
N -1.843159 0.485700 -0.006051
N -4.173099 0.102593 0.002763
C 3.928224 -0.286225 0.001896
C 2.410327 -0.064141 0.000130
C 1.826988 1.239816 -0.006077
C 1.536667 -1.180819 0.004071
C 4.396711 -1.039772 -1.273422
C 4.395431 -1.031304 1.282606
C 0.418057 1.364752 -0.007864
C -0.441489 0.234117 -0.003863
C 0.133216 -1.062347 0.002132
C 2.674651 2.505183 -0.010752
C -2.884622 -0.457734 -0.003330
C -5.327084 -0.809401 -0.007194
C -4.429391 1.549334 0.014123
H 4.426790 0.701142 -0.001098
H 1.965413 -2.190668 0.008558
H 3.956972 -2.053203 -1.319327
H 5.497891 -1.147504 -1.281266
H 4.092685 -0.501179 -2.189391
H 4.090625 -0.486591 2.194687
H 5.496595 -1.139054 1.292167
H 3.955645 -2.044395 1.334923
H -0.020363 2.373244 -0.012516
H -0.517541 -1.937875 0.004448
H 3.331276 2.558163 -0.899850
H 2.036137 3.405577 -0.015056
H 3.329845 2.565659 0.878919
H -2.096890 1.473978 -0.013579
H -5.953822 -0.649098 -0.906039
H -5.953726 -0.669191 0.895076
H -4.943148 -1.840970 -0.018171
H -5.517647 1.717129 0.042899
H -4.045611 2.054496 -0.897021
H -4.000598 2.045647 0.909480


