%chk=000068414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068414

0 1
 O   2.7300000E-02  0.2095000       2.414700    
 N    4.727700      -2.431400     -0.6307000    
 N   -4.621300      -2.705700     -0.5746000    
 N  -0.1176000       5.789400     -0.4623000    
 C  -2.0900000E-02  0.2774000      0.9529000    
 C    1.285100     -0.4676000      0.5172000    
 C   -1.287200     -0.5438000      0.5324000    
 C  -4.6300001E-02   1.721700      0.5822000    
 C    2.317600     -0.4838000       1.401200    
 C   -2.273800      0.1251000     -0.1196000    
 C    1.292800      -1.044500     -0.7136000    
 C   -1.306300      -1.864700      0.8510000    
 C   0.6328000       2.161800     -0.5539000    
 C  -0.7487000       2.632300       1.371600    
 C    3.551000      -1.759600     -0.2384000    
 C   -3.481400      -1.966200     -0.1957000    
 C    3.481500      -1.147400       1.013000    
 C   -3.401500     -0.6059000     -0.4938000    
 C    2.456700      -1.708200      -1.101600    
 C   -2.433900      -2.595500      0.4767000    
 C   0.6093000       3.512800     -0.9006000    
 C  -0.7723000       3.983100       1.024700    
 C  -9.3099996E-02   4.423400     -0.1113000    
 C    5.578700      -3.060100      0.3598000    
 C    5.093600      -2.513600      -2.030700    
 C   -5.714700      -2.061300      -1.274300    
 C   -4.707500      -4.122500     -0.2816000    
 C  -2.7500000E-02   6.245500      -1.814700    
 H    2.309400      6.0000001E-03   2.367900    
 H   -2.256200       1.172700     -0.3878000    
 H   0.4629000     -0.9993000      -1.409700    
 H  -0.5083000      -2.363600       1.389800    
 H    1.182300       1.499300      -1.211500    
 H   -1.297000       2.315800       2.254800    
 H  -0.8313000     -9.0700001E-02   2.757100    
 H    4.322100      -1.153800       1.701200    
 H   -4.188200     -7.2099999E-02  -1.018000    
 H    2.474900      -2.180100      -2.079900    
 H   -2.450000      -3.649700      0.7354000    
 H    1.151600       3.825600      -1.788400    
 H   -1.326200       4.682000       1.646200    
 H  -0.5362000       6.417600      0.2162000    
 H    6.210900      -2.316500      0.8563000    
 H    4.989500      -3.592600       1.115000    
 H    6.241900      -3.800500     -0.1013000    
 H    4.929200      -1.560200      -2.545500    
 H    6.156300      -2.754400      -2.147600    
 H    4.520900      -3.298300      -2.536300    
 H   -5.384400      -1.656700      -2.237500    
 H   -6.154000      -1.259800     -0.6701000    
 H   -6.525700      -2.764900      -1.493400    
 H   -4.675500      -4.306100      0.7982000    
 H   -3.901300      -4.678400     -0.7731000    
 H   -5.647800      -4.554000     -0.6424000    
 H  -0.7580000       5.743200      -2.457500    
 H   0.9767000       6.094900      -2.223400    
 H  -0.2350000       7.319700      -1.855700    


%chk=000068414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068414

0 1
O -0.160802 0.149932 2.492609
N 4.957021 -2.298011 -0.610928
N -4.927520 -2.703436 -0.619291
N -0.212022 5.763986 -0.488201
C -0.092828 0.143890 0.986824
C 1.214735 -0.555692 0.561122
C -1.351487 -0.589732 0.472681
C -0.076670 1.634844 0.603319
C 2.374338 -0.421772 1.365531
C -2.455682 0.078811 -0.107625
C 1.343718 -1.272198 -0.653624
C -1.475395 -1.992808 0.665998
C 0.533601 2.089698 -0.588515
C -0.732510 2.593826 1.418992
C 3.734842 -1.723995 -0.231971
C -3.758727 -2.015376 -0.267132
C 3.604558 -0.991110 0.991367
C -3.629524 -0.606631 -0.475944
C 2.568142 -1.847077 -1.049451
C -2.640725 -2.695895 0.313628
C 0.497006 3.448265 -0.967903
C -0.771321 3.952445 1.061196
C -0.159547 4.409229 -0.145372
C 6.138105 -2.140194 0.243565
C 5.062394 -3.023707 -1.880015
C -6.052001 -1.977365 -1.218441
C -5.027407 -4.147557 -0.386076
C 0.400183 6.319219 -1.689480
H 2.295362 0.141117 2.301455
H -2.397713 1.158467 -0.279005
H 0.469760 -1.391675 -1.304375
H -0.630314 -2.557148 1.081698
H 1.061427 1.375802 -1.229956
H -1.194873 2.256402 2.350809
H -0.349456 -0.782085 2.775857
H 4.467708 -0.860607 1.650835
H -4.448319 -0.038643 -0.927232
H 2.610764 -2.392950 -1.996563
H -2.677107 -3.775935 0.483478
H 0.987128 3.759327 -1.896120
H -1.276809 4.674429 1.716647
H -0.672848 6.397907 0.160785
H 6.422211 -1.074442 0.369648
H 5.976005 -2.567536 1.254747
H 6.992634 -2.666462 -0.211288
H 4.834875 -2.374047 -2.751298
H 6.089095 -3.404699 -2.001710
H 4.371669 -3.891615 -1.917788
H -5.772377 -1.501557 -2.181392
H -6.434190 -1.180841 -0.546875
H -6.878708 -2.678447 -1.415490
H -4.909782 -4.401645 0.687865
H -4.259792 -4.714330 -0.953353
H -6.018157 -4.504287 -0.710154
H -0.022368 5.872655 -2.613404
H 1.498927 6.160702 -1.710725
H 0.214374 7.405851 -1.724961


