%chk=000018707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018707

0 1
 O  -0.4716000      0.6507000      0.4327000    
 O   -5.916600       1.132800     -0.2757000    
 N    3.902600       2.229400      7.5000003E-02
 N    1.521300     -0.6255000      0.4099000    
 N  -0.3921000      -1.616200     -0.1356000    
 C    3.005600       1.174300     -0.3794000    
 C    2.437400      0.4158000      0.8166000    
 C    1.850400      -1.926300      0.1265000    
 C    4.983800       1.672300      0.8900000    
 C    4.453900       2.964300      -1.065100    
 C   0.1717000     -0.4896000      0.2390000    
 C   0.6392000      -2.523900     -0.2111000    
 C    3.066400      -2.610500      0.1362000    
 C    5.888800       2.769000       1.425300    
 C    3.348600       3.552000      -1.925900    
 C   0.6213000      -3.884300     -0.5625000    
 C    3.030100      -3.963600     -0.2164000    
 C    1.830300      -4.591000     -0.5597000    
 C   -1.840900      0.7721000      0.2545000    
 C   -2.681600      0.5345000       1.325700    
 C   -2.328100       1.127200     -0.9896000    
 C   -4.059600      0.6565000       1.146500    
 C   -3.706000       1.249300      -1.168800    
 C   -4.571800       1.014000     -0.1008000    
 C   -6.751800      0.3060000      0.5330000    
 C   -8.031100      1.0500000E-02 -0.2204000    
 H    3.515700      0.4794000      -1.060200    
 H    2.148500       1.587300     -0.9226000    
 H    1.897600       1.090500       1.492400    
 H    3.194900     -9.7900003E-02   1.413600    
 H    4.598500       1.190500       1.791700    
 H    5.576700      0.9311000      0.3399000    
 H    5.047400       3.818200     -0.7227000    
 H    5.105200       2.333500      -1.683100    
 H    4.000500      -2.127100      0.3987000    
 H    6.551000       3.177700      0.6560000    
 H    5.314900       3.587600       1.873300    
 H    6.538100       2.360300       2.208100    
 H    2.599400       4.078100      -1.324200    
 H    2.848500       2.796200      -2.539600    
 H    3.776700       4.282200      -2.622200    
 H  -0.3056000      -4.380900     -0.8311000    
 H    3.953800      -4.536900     -0.2237000    
 H    1.834000      -5.644000     -0.8294000    
 H   -2.284200      0.2629000       2.299100    
 H   -1.655900       1.311700      -1.822100    
 H   -4.696500      0.4917000       2.010500    
 H   -4.099100       1.528000      -2.142700    
 H   -6.275800     -0.6557000      0.7620000    
 H   -6.984100      0.8318000       1.465700    
 H   -7.813900     -0.5036000      -1.162700    
 H   -8.550400      0.9397000     -0.4776000    
 H   -8.701700     -0.6144000      0.3762000    


%chk=000018707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018707

0 1
O -0.275996 0.246125 0.435508
O -5.723738 1.545117 -0.164664
N 3.799970 2.068739 -0.398255
N 1.732435 -0.937247 0.673094
N -0.160618 -2.209380 0.331412
C 2.939147 0.877969 -0.575506
C 2.558993 0.272151 0.800458
C 2.160597 -2.279801 0.647787
C 5.249010 1.737060 -0.346029
C 3.473106 3.190979 -1.317174
C 0.346869 -0.976093 0.468617
C 0.969162 -3.057783 0.442726
C 3.431069 -2.869564 0.790129
C 6.073170 2.754098 0.466557
C 2.163817 3.909266 -0.937755
C 1.048637 -4.464747 0.377696
C 3.491070 -4.280342 0.722672
C 2.319852 -5.064320 0.519565
C -1.684162 0.435954 0.275802
C -2.628900 -0.596907 0.116381
C -2.074085 1.794897 0.287983
C -3.993974 -0.254841 -0.032979
C -3.430042 2.126985 0.138996
C -4.398650 1.102222 -0.022919
C -6.773271 0.522044 -0.338108
C -8.098714 1.266931 -0.471938
H 3.422972 0.093919 -1.204950
H 2.005848 1.168756 -1.088864
H 2.003958 1.029203 1.377689
H 3.467188 0.011815 1.372438
H 5.348655 0.743381 0.131668
H 5.680421 1.633909 -1.373923
H 4.302055 3.919952 -1.263788
H 3.421953 2.847203 -2.381092
H 4.337418 -2.274538 0.945086
H 6.031859 3.765545 0.023814
H 5.685054 2.819774 1.497887
H 7.135804 2.449414 0.503525
H 2.236865 4.315153 0.086279
H 1.295336 3.225959 -0.973200
H 1.963019 4.741630 -1.637806
H 0.146068 -5.063436 0.222234
H 4.459827 -4.781111 0.828228
H 2.409446 -6.155149 0.472840
H -2.298005 -1.637601 0.109362
H -1.313452 2.570914 0.417443
H -4.721808 -1.061850 -0.155984
H -3.761930 3.169214 0.145464
H -6.555755 -0.079656 -1.244945
H -6.778248 -0.154581 0.541527
H -8.078496 1.943615 -1.343161
H -8.299275 1.869209 0.430492
H -8.927132 0.547545 -0.605121


