%chk=000072512.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072512

0 1
 O   -4.785900      -1.501600      3.9999999E-04
 N  -0.6091000       2.046900     -1.9999999E-04
 N    4.613400      -1.671900     -3.0000001E-04
 C   4.1000000E-03 -9.5500000E-02 -9.9999997E-05
 C   0.4837000       1.212200       0.000000    
 C   -1.425400     -2.7200000E-02 -1.9999999E-04
 C   0.9351000      -1.155100     -1.9999999E-04
 C    1.850000       1.520400      1.9999999E-04
 C   -1.777600       1.322400     -3.9999999E-04
 C    2.314900     -0.8729000     -9.9999997E-05
 C    2.772200      0.4597000      1.9999999E-04
 C   -2.454200     -0.9927000       0.000000    
 C   0.4676000      -2.581100      1.9999999E-04
 C    2.298700       2.948800      6.0000003E-04
 C   -3.107600       1.758200     -5.0000002E-04
 C    4.150700      0.7002000      3.0000001E-04
 C    3.278100      -1.883600     -3.0000001E-04
 C   -3.789100     -0.5726000     -9.9999997E-05
 C   -4.108600      0.7832000     -3.9999999E-04
 C    5.014800     -0.3840000      9.9999997E-05
 C   -6.125900      -1.014000      6.0000003E-04
 H  -0.5715000       3.056300     -1.9999999E-04
 H   -2.250200      -2.056900      2.2900000E-02
 H   0.2456000      -2.907800       1.020500    
 H  -0.4220000      -2.696500     -0.6214000    
 H    1.166300      -3.285700     -0.4546000    
 H    2.895300       3.161300      0.8943000    
 H    2.895500       3.161700     -0.8929000    
 H    1.467600       3.659100      6.9999998E-04
 H   -3.356000       2.814400     -6.9999998E-04
 H    4.576000       1.698200      6.0000003E-04
 H    3.044300      -2.940800      2.5699999E-02
 H   -5.126200       1.160700     -5.0000002E-04
 H    6.089800     -0.2357000      1.9999999E-04
 H   -6.786900      -1.887000      1.1000000E-03
 H   -6.349100     -0.4468000     -0.9095000    
 H   -6.348500     -0.4462000      0.9105000    


%chk=000072512-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072512

0 1
O -4.791450 -1.555386 0.004351
N -0.581003 2.122932 0.010197
N 4.669750 -1.717671 -0.018686
C 0.025626 -0.108320 -0.001740
C 0.523097 1.258334 0.003291
C -1.440557 -0.022545 0.002888
C 0.916570 -1.196966 -0.008659
C 1.884466 1.587273 -0.000549
C -1.775210 1.377522 0.010035
C 2.329187 -0.899175 -0.010469
C 2.801187 0.484533 -0.007254
C -2.483683 -0.973804 0.001408
C 0.368974 -2.612084 -0.012655
C 2.372393 3.024241 0.002727
C -3.106129 1.824952 0.016087
C 4.224390 0.688558 -0.010757
C 3.338541 -1.927602 -0.015329
C -3.826803 -0.526101 0.006979
C -4.141099 0.860101 0.014466
C 5.094974 -0.398242 -0.016866
C -6.199171 -1.159042 0.011250
H -0.529723 3.137767 0.017066
H -2.301831 -2.049952 -0.004627
H -0.262796 -2.788317 0.878312
H -0.269338 -2.781400 -0.900471
H 1.151117 -3.384028 -0.019342
H 2.983560 3.244043 0.898588
H 3.000831 3.241462 -0.881541
H 1.541782 3.750797 -0.007209
H -3.351429 2.892314 0.021869
H 4.633692 1.703002 -0.008015
H 3.044288 -2.982121 -0.016026
H -5.180902 1.199346 0.019017
H 6.181163 -0.256294 -0.020499
H -6.763547 -2.103383 0.008697
H -6.458747 -0.568965 -0.890033
H -6.452269 -0.577677 0.920002


