%chk=000035436.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035436

0 1
 O    2.885000       3.763100      1.3000000E-03
 O    4.115100      -2.288200       1.136500    
 O    2.227400      -1.835200      -1.067900    
 O   -5.637400      0.7190000      0.3359000    
 N    3.155400      7.7000000E-02 -0.1277000    
 C    3.021200       1.410700      0.4552000    
 C    4.521800     -0.4023000     -0.2907000    
 C    2.092100     -0.7246000     -0.5524000    
 C    3.053800       2.490900     -0.6104000    
 C    4.986700      -1.185300      0.9236000    
 C   0.7256000     -0.1493000     -0.3793000    
 C   -1.720300     -0.5268000     -7.9999998E-02
 C  -0.3233000     -0.9716000     -0.2277000    
 C   -1.979500      0.7738000      0.3207000    
 C   -2.747200      -1.418400     -0.3443000    
 C   -4.347300      0.3085000      0.1987000    
 C   -3.302100       1.194200      0.4610000    
 C   -4.069800     -0.9977000     -0.2041000    
 C   -6.657200     -0.2377000      5.1600002E-02
 H    2.099400       1.483200       1.042200    
 H    3.829100       1.570000       1.180200    
 H    4.555500      -1.053500      -1.172100    
 H    5.189400      0.4437000     -0.4853000    
 H    2.257000       2.353300      -1.347900    
 H    4.010900       2.488400      -1.142200    
 H    6.003700      -1.563200      0.7819000    
 H    4.971300     -0.5667000       1.826000    
 H   0.6132000      0.9240000     -0.4407000    
 H  -0.1730000      -2.048800     -0.2095000    
 H   -1.199300       1.490200      0.5577000    
 H   -2.546000      -2.438700     -0.6601000    
 H   -3.512700       2.211500      0.7799000    
 H   -4.832700      -1.736700     -0.4243000    
 H    2.914400       4.427000     -0.7086000    
 H    4.153400      -2.849600      0.3434000    
 H   -6.616200      -1.086900      0.7422000    
 H   -7.619900      0.2587000      0.2123000    
 H   -6.631500     -0.5536000     -0.9969000    


%chk=000035436-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035436

0 1
O 3.057841 3.882193 -0.044403
O 4.712844 -2.838568 0.328698
O 2.288155 -1.909973 -0.396512
O -5.813408 0.683327 0.144893
N 3.261843 0.151767 0.049185
C 3.199223 1.556734 0.502675
C 4.607118 -0.407809 -0.268900
C 2.143235 -0.659233 -0.120653
C 3.092201 2.552447 -0.667543
C 5.124415 -1.497798 0.709873
C 0.793525 -0.056147 0.004954
C -1.721002 -0.441684 -0.038685
C -0.317309 -0.851196 -0.108642
C -2.143325 0.906864 0.181371
C -2.731938 -1.430043 -0.197675
C -4.491494 0.235612 0.072372
C -3.501053 1.243111 0.236350
C -4.103545 -1.110467 -0.145644
C -6.881800 -0.310158 -0.011859
H 2.351401 1.710026 1.189904
H 4.113125 1.786886 1.078347
H 4.588290 -0.853278 -1.282361
H 5.306097 0.447702 -0.280073
H 2.169062 2.354046 -1.251778
H 3.966683 2.443009 -1.343866
H 6.230088 -1.503082 0.685662
H 4.801258 -1.238125 1.743435
H 0.698355 1.021410 0.169139
H -0.120044 -1.919635 -0.279923
H -1.398729 1.699494 0.312736
H -2.432488 -2.471459 -0.366657
H -3.829859 2.272864 0.405734
H -4.847682 -1.901736 -0.273610
H 3.026091 4.581604 -0.743382
H 3.753007 -2.761713 0.028356
H -6.832486 -1.079223 0.782640
H -7.817338 0.260022 0.079662
H -6.834359 -0.795392 -1.005620


