%chk=000052877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052877

0 1
 O  -6.9100000E-02 -0.2310000       1.830300    
 O   0.2282000     -0.5046000      -2.755600    
 N   -1.383300      0.3830000      -1.323900    
 N   0.4223000     -0.5659000     -0.4258000    
 N    4.124400     -0.9438000     -0.1979000    
 C   -1.600300      0.5367000      9.6299998E-02
 C   -2.841000     -0.2316000      0.5480000    
 C   -4.117200      0.4534000      4.0500000E-02
 C   -2.778000      -1.689700      7.3600002E-02
 C   -1.652600       2.004000      0.4943000    
 C   -5.369900     -0.3259000      0.4344000    
 C   -4.033000      -2.465400      0.4674000    
 C  -0.3347000     -0.1278000      0.6392000    
 C   -5.299700      -1.776900     -3.1099999E-02
 C  -0.2767000       2.693400      0.4890000    
 C  -0.1852000     -0.2644000      -1.628700    
 C    1.699500      -1.240400     -0.3058000    
 C   0.3856000       2.661000     -0.8891000    
 C  -0.4192000       4.142600      0.9602000    
 C    2.852600     -0.2485000     -0.3486000    
 C    5.219000     -0.1438000     -0.7512000    
 C    4.382000      -1.249400       1.210700    
 C    5.373300       1.168400     -1.4000000E-03
 C    5.672900      -2.033500       1.375300    
 H   -2.875300     -0.2390000       1.647100    
 H   -4.214400       1.462700      0.4547000    
 H   -4.096200      0.5546000      -1.051400    
 H   -2.681600      -1.750000      -1.017100    
 H   -1.912400      -2.206800      0.5026000    
 H   -2.059000       2.090700       1.511200    
 H   -2.329300       2.560600     -0.1674000    
 H   -6.255000      0.1563000      4.0000002E-03
 H   -5.489400     -0.2978000       1.524500    
 H   -4.075000      -2.560900       1.559400    
 H   -3.981800      -3.481600      6.0400002E-02
 H   -5.325700      -1.809900      -1.127200    
 H   -6.180800      -2.321900      0.3259000    
 H   -2.023700      0.7205000      -2.035700    
 H   0.3985000       2.218400       1.209500    
 H    1.789400      -1.956100      -1.131800    
 H    1.682800      -1.802800      0.6326000    
 H  -0.3377000       2.755500      -1.704700    
 H    1.020500       1.795000      -1.039000    
 H    1.072100       3.511100     -0.9945000    
 H   -1.047400       4.722800      0.2755000    
 H   0.5583000       4.633200       1.021600    
 H  -0.8731000       4.185800       1.956100    
 H    2.704600      0.5268000      0.4144000    
 H    2.809000      0.2574000      -1.322400    
 H    6.165200     -0.6948000     -0.7665000    
 H    5.013300      6.8899997E-02  -1.808600    
 H    4.377600     -0.3721000       1.867300    
 H    3.586700      -1.901500       1.589500    
 H    4.467500       1.781100      1.8000000E-03
 H    5.722500       1.041800       1.027000    
 H    6.141000       1.768300     -0.5055000    
 H    5.728000      -2.875000      0.6760000    
 H    6.563200      -1.410000       1.249800    
 H    5.722000      -2.449600       2.387900    


%chk=000052877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052877

0 1
O -0.110061 -0.296048 1.865742
O 0.429606 -0.380991 -2.811303
N -1.297888 0.471468 -1.407257
N 0.465860 -0.519069 -0.421250
N 4.211133 -0.945493 -0.008357
C -1.596487 0.576760 0.038726
C -2.881270 -0.244987 0.440325
C -4.178028 0.337454 -0.182734
C -2.750967 -1.751311 0.090679
C -1.681554 2.045022 0.561538
C -5.430514 -0.464902 0.250143
C -4.002769 -2.550229 0.525577
C -0.345899 -0.117082 0.642402
C -5.292410 -1.965343 -0.093666
C -0.410425 2.936861 0.459906
C -0.097816 -0.157527 -1.692452
C 1.754606 -1.210654 -0.280997
C -0.152857 3.483351 -0.966599
C -0.546190 4.114741 1.456983
C 2.957630 -0.230834 -0.325484
C 5.372259 -0.568539 -0.850991
C 4.473658 -1.041133 1.449935
C 5.952029 0.855295 -0.624471
C 5.490451 -2.138299 1.816075
H -2.951772 -0.158315 1.545537
H -4.311389 1.397729 0.102611
H -4.100115 0.302730 -1.290835
H -2.608268 -1.860925 -1.003825
H -1.856176 -2.178752 0.581892
H -1.962910 1.962925 1.629771
H -2.515794 2.564021 0.048855
H -6.331372 -0.038567 -0.232366
H -5.570754 -0.354152 1.345400
H -4.085566 -2.525725 1.631852
H -3.885363 -3.612765 0.237895
H -5.258460 -2.087563 -1.196220
H -6.179099 -2.523265 0.264244
H -1.881624 0.858796 -2.145137
H 0.469386 2.336850 0.771913
H 1.853498 -1.944316 -1.097980
H 1.734156 -1.745013 0.684547
H -1.022112 4.073754 -1.318324
H 0.034084 2.681776 -1.700212
H 0.726421 4.154321 -0.969328
H -1.438786 4.727262 1.222087
H 0.336839 4.778483 1.409271
H -0.644850 3.752004 2.496611
H 2.757074 0.617144 0.372963
H 3.023220 0.192979 -1.344001
H 6.171612 -1.316433 -0.694028
H 5.058883 -0.670464 -1.907319
H 4.809346 -0.063478 1.879112
H 3.511012 -1.273734 1.943015
H 5.187137 1.633116 -0.804995
H 6.332877 0.981595 0.405397
H 6.792597 1.039158 -1.319405
H 5.174494 -3.107500 1.391296
H 6.503950 -1.910349 1.439584
H 5.560024 -2.240235 2.914751


