%chk=000060247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060247

0 1
 O   0.5133000      -1.881600      0.7789000    
 O  -0.1171000      -1.004200       2.811700    
 O   -3.539900      -1.426800      -2.013900    
 O   -3.690600       2.274400       1.021600    
 O   -4.704100      0.9464000      -1.187400    
 N    4.275600     -0.1832000     -0.1940000    
 C    3.824300       1.176700      0.1329000    
 C    4.928100     -0.2242000      -1.510300    
 C    4.995700       2.160200      0.1401000    
 C    6.135500      0.7135000      -1.557000    
 C    5.744500       2.140000      -1.187600    
 C    3.152700      -1.119300     -0.1504000    
 C    2.817100      -1.476600       1.294000    
 C    1.664100      -2.468300       1.370800    
 C  -0.2955000      -1.173800       1.615600    
 C   -1.457500     -0.6161000      0.8784000    
 C   -2.040500      0.5800000       1.297100    
 C   -1.964500      -1.287000     -0.2344000    
 C   -3.054500     -0.7618000     -0.9286000    
 C   -3.130400       1.105200      0.6029000    
 C   -3.637500      0.4343000     -0.5100000    
 C   -2.886700      -2.642100      -2.375000    
 C   -3.112200       2.896200       2.167300    
 C   -4.419800       1.838300      -2.262700    
 H    3.368000       1.215400       1.127100    
 H    3.066400       1.519800     -0.5840000    
 H    4.219900      4.5100000E-02  -2.305000    
 H    5.283700      -1.240400      -1.720100    
 H    5.686200       1.903700      0.9536000    
 H    4.627800       3.173000      0.3404000    
 H    6.576600      0.6994000      -2.560000    
 H    6.906500      0.3547000     -0.8634000    
 H    6.637900       2.771100      -1.125600    
 H    5.106200       2.560100      -1.974500    
 H    3.426700      -2.053800     -0.6582000    
 H    2.281400     -0.7196000     -0.6845000    
 H    2.540300     -0.5828000       1.862000    
 H    3.695400      -1.914600       1.783800    
 H    1.477900      -2.779000       2.405500    
 H    1.901600      -3.376400      0.8059000    
 H   -1.602600       1.061400       2.165000    
 H   -1.492000      -2.221400     -0.5151000    
 H   -3.400400      -3.031900      -3.260100    
 H   -2.985100      -3.402000      -1.592200    
 H   -1.844300      -2.470800      -2.664600    
 H   -3.682300       3.811400       2.358800    
 H   -2.076700       3.201200       1.981900    
 H   -3.210200       2.269400       3.060300    
 H   -3.885400       2.721900      -1.899600    
 H   -3.830600       1.334900      -3.035700    
 H   -5.368600       2.159800      -2.700900    


%chk=000060247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060247

0 1
O 0.487498 -1.654684 1.128127
O -0.048242 -0.329821 2.977035
O -3.181404 -0.842246 -2.300835
O -4.510565 1.894051 1.393215
O -4.973132 0.929922 -1.050709
N 4.482895 -0.294224 -0.239188
C 4.217542 1.162934 -0.104358
C 5.069885 -0.605737 -1.569999
C 5.510040 1.986454 -0.282708
C 6.390627 0.158240 -1.791753
C 6.171760 1.680731 -1.644802
C 3.279168 -1.120641 0.033141
C 2.903506 -1.157384 1.529036
C 1.729686 -2.098577 1.829283
C -0.319204 -0.736147 1.816933
C -1.505205 -0.325576 1.019272
C -2.419895 0.572996 1.618224
C -1.720189 -0.807600 -0.293037
C -2.861344 -0.388484 -1.009112
C -3.555633 1.001111 0.898723
C -3.790216 0.530785 -0.431941
C -2.300945 -1.851495 -2.896243
C -4.327451 2.369629 2.767983
C -4.889255 1.529029 -2.400572
H 3.787770 1.358571 0.893863
H 3.459428 1.498646 -0.863393
H 4.355876 -0.345137 -2.398230
H 5.249346 -1.696427 -1.621729
H 6.210521 1.728984 0.535097
H 5.272023 3.064112 -0.195108
H 6.792189 -0.085773 -2.794359
H 7.129070 -0.183407 -1.040796
H 7.131264 2.223074 -1.742484
H 5.512086 2.038265 -2.462830
H 3.505538 -2.155299 -0.294450
H 2.395452 -0.779338 -0.564331
H 2.652122 -0.150897 1.909098
H 3.784568 -1.506789 2.102544
H 1.524572 -2.138449 2.913347
H 1.903859 -3.113704 1.432908
H -2.207781 0.921459 2.632249
H -1.001231 -1.509519 -0.718525
H -2.753177 -2.085117 -3.871292
H -2.261784 -2.764860 -2.272534
H -1.276679 -1.457634 -3.043133
H -5.186580 3.030062 2.954953
H -3.384783 2.940622 2.876495
H -4.335612 1.529418 3.488742
H -4.256469 2.436473 -2.374306
H -4.491142 0.805696 -3.130319
H -5.925975 1.803501 -2.646391


