%chk=000003504.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003504

0 1
 O  -0.6937000      -2.818700     -0.1668000    
 O   0.8096000      0.7335000     -0.8892000    
 O   0.7223000      -2.049000       1.488300    
 O    3.955300       1.238600      -1.098400    
 N    2.308000      -1.010900     -0.4483000    
 N   -4.115200       2.263600     -0.4333000    
 C    1.448500      -2.129600     -0.8059000    
 C    2.396300      -3.315800     -0.9406000    
 C    3.532000      -2.975300      2.2200000E-02
 C    3.650300      -1.463300     -9.5399998E-02
 C    2.764200       2.357900      0.7311000    
 C    1.915800      0.3026000     -0.5962000    
 C   0.4765000      -2.315700      0.3198000    
 C    2.979300       1.309600     -0.3634000    
 C    1.517900       3.230800      0.4446000    
 C    4.011400       3.257800      0.7891000    
 C    2.626300       1.645200       2.089300    
 C    1.566300       4.013000     -0.8638000    
 C   -1.716900      -3.047200      0.8073000    
 C   -2.560300      -1.786900      0.9400000    
 C   -3.232500      -1.418800     -0.3815000    
 C   -4.032300     -0.1467000     -0.2648000    
 C   -5.372700     -0.1743000      0.1040000    
 C   -3.455400       1.086900     -0.5206000    
 C   -6.085000       1.015600      0.2046000    
 C   -5.416200       2.197100     -7.1999997E-02
 H   0.9107000      -1.896200      -1.731100    
 H    1.931800      -4.278800     -0.7083000    
 H    2.790600      -3.360900      -1.963000    
 H    4.465300      -3.490600     -0.2216000    
 H    3.249800      -3.252300       1.044800    
 H    4.329600      -1.202000     -0.9134000    
 H    3.994800     -0.9887000      0.8271000    
 H    1.401200       3.957600       1.260300    
 H   0.6023000       2.631000      0.4708000    
 H    4.246800       3.706800     -0.1818000    
 H    4.896300       2.682800       1.088800    
 H    3.884000       4.068300       1.515500    
 H    3.488200      0.9986000       2.288900    
 H    1.731200       1.014100       2.119500    
 H    2.549700       2.368400       2.908900    
 H    2.359800       4.765500     -0.8577000    
 H   0.6194000       4.543400      -1.010900    
 H    1.714800       3.355500      -1.725000    
 H   -1.296300      -3.348200       1.773600    
 H   -2.328700      -3.882800      0.4507000    
 H   -1.927600     -0.9535000       1.270100    
 H   -3.318900      -1.941600       1.716800    
 H   -2.487200      -1.294200      -1.177100    
 H   -3.889400      -2.233900     -0.7111000    
 H   -5.870900      -1.116100      0.3169000    
 H   -2.412500       1.173200     -0.8101000    
 H   -7.130500       1.018100      0.4909000    
 H   -5.926800       3.152300     -7.7999998E-03


%chk=000003504-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003504

0 1
O -0.610255 -3.073555 -0.144383
O 0.478066 0.117280 -0.799017
O 0.784040 -2.242403 1.537104
O 3.540909 1.500140 -1.278115
N 2.390907 -1.173725 -0.637148
N -3.088630 2.650326 -0.371797
C 1.599345 -2.417450 -0.805478
C 2.679405 -3.538168 -0.766578
C 3.821765 -2.924543 0.083191
C 3.828362 -1.440157 -0.348066
C 2.291325 2.242414 0.722454
C 1.742241 0.032611 -0.625517
C 0.577008 -2.540346 0.338063
C 2.610943 1.300494 -0.449876
C 0.838591 2.830767 0.604267
C 3.341190 3.377573 0.766595
C 2.366545 1.390683 2.030087
C 0.520942 3.585584 -0.702655
C -1.763472 -3.111396 0.812042
C -2.416323 -1.725181 0.915084
C -2.916405 -1.179994 -0.451637
C -3.489781 0.220722 -0.326980
C -4.848151 0.455021 0.003749
C -2.657696 1.359167 -0.507689
C -5.314134 1.781454 0.144064
C -4.401695 2.844030 -0.047540
H 1.035530 -2.401000 -1.752233
H 2.286033 -4.479914 -0.350320
H 3.025199 -3.737714 -1.796820
H 4.793569 -3.413490 -0.095854
H 3.577304 -3.002312 1.156819
H 4.433653 -1.273057 -1.257944
H 4.200475 -0.766336 0.441461
H 0.710782 3.511565 1.470684
H 0.111754 2.010267 0.729764
H 3.341187 3.965062 -0.166261
H 4.361681 2.976615 0.900149
H 3.115867 4.053480 1.611548
H 3.391509 1.015563 2.211959
H 1.675890 0.527873 2.007885
H 2.083974 2.027974 2.887900
H 1.156914 4.479852 -0.833060
H -0.536598 3.905967 -0.695939
H 0.658960 2.932681 -1.584086
H -1.396075 -3.453277 1.795913
H -2.438851 -3.861624 0.368856
H -1.692532 -1.015120 1.353639
H -3.263634 -1.801096 1.626187
H -2.062998 -1.171888 -1.152588
H -3.680298 -1.870685 -0.861309
H -5.533181 -0.390925 0.141704
H -1.602823 1.225563 -0.775210
H -6.359310 1.992770 0.393004
H -4.721725 3.887658 0.054726


