%chk=000061279.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061279

0 1
 O    3.685300      -2.283700     -2.2000000E-02
 O   -3.788600      -2.103500     -0.4135000    
 O   -1.872000       2.709300      0.3700000    
 O   -1.015900       2.089200      -1.563100    
 N    2.078100      5.1500000E-02 -0.2765000    
 N   -1.435800     -0.7126000      0.3813000    
 N   -1.056100       2.111500     -0.3324000    
 C   1.5799999E-02   1.347000      0.3843000    
 C   0.8932000      0.7637000     -0.7504000    
 C  -0.7226000      0.2635000       1.202400    
 C   0.7980000       2.379100       1.232500    
 C    1.701300      -1.046500      0.6245000    
 C    2.860000     -0.4700000      -1.406300    
 C   -2.483000     -5.8400001E-02 -0.4157000    
 C   -2.024900      -1.767300       1.218000    
 C    1.325400       3.593000      0.4714000    
 C    2.952700      -1.781400       1.096100    
 C    4.083700      -1.219600     -0.8872000    
 C   -3.221400      -1.097900      -1.254100    
 C   -2.773200      -2.766600      0.3405000    
 H    1.256800       1.566400      -1.406700    
 H   0.3158000      8.8500001E-02  -1.399000    
 H   -1.486900      0.7838000       1.806200    
 H  -0.1727000     -0.1839000       2.025800    
 H    1.640400       1.884700       1.731500    
 H   0.1563000       2.747400       2.044500    
 H    1.002700      -1.754000      0.1694000    
 H    1.388700     -0.6621000       1.578800    
 H    3.194100      0.3506000      -2.051200    
 H    2.247700      -1.151700      -2.011000    
 H   -2.132600      0.4929000      -1.260200    
 H   -3.206400      0.4883000      0.1993000    
 H   -2.720000      -1.330700       1.947000    
 H   -1.241400      -2.298700       1.770100    
 H    1.841900       4.261400       1.169200    
 H    2.051500       3.309300     -0.2951000    
 H   0.5275000       4.174800      2.0999999E-03
 H    3.607300      -1.134000       1.693700    
 H    2.673700      -2.635100       1.722700    
 H    4.633800      -1.660300      -1.724800    
 H    4.771000     -0.5517000     -0.3538000    
 H   -4.043100     -0.6265000      -1.804200    
 H   -2.562300      -1.575400      -1.990900    
 H   -2.094600      -3.292800     -0.3420000    
 H   -3.262200      -3.519500      0.9669000    


%chk=000061279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061279

0 1
O 3.866620 -2.214548 0.101012
O -3.743290 -2.422263 0.266033
O -1.724585 3.184207 -0.005740
O -1.025772 2.366863 -2.010332
N 1.765856 -0.262671 -0.337036
N -1.557132 -0.509175 0.486990
N -0.986593 2.407231 -0.722316
C 0.016569 1.489041 0.033415
C 0.784068 0.624664 -1.007129
C -0.791584 0.620784 1.050727
C 0.941290 2.439394 0.851423
C 1.532919 -1.711723 -0.578615
C 3.188731 0.077390 -0.589944
C -2.863940 -0.125265 -0.119604
C -1.753060 -1.593840 1.490719
C 1.600853 3.581439 0.050759
C 2.448806 -2.540213 0.334653
C 4.092256 -0.776372 0.317650
C -3.544811 -1.359626 -0.733158
C -2.444166 -2.802018 0.839575
H 1.276190 1.286104 -1.745529
H 0.045670 0.021141 -1.562484
H -1.432435 1.314530 1.644865
H -0.023347 0.199143 1.723446
H 1.711888 1.782970 1.297424
H 0.348861 2.868994 1.680475
H 1.742337 -1.985469 -1.642365
H 0.472184 -1.935552 -0.368524
H 3.361434 1.147197 -0.370521
H 3.468702 -0.102545 -1.657696
H -2.704631 0.616486 -0.920546
H -3.538053 0.333942 0.643690
H -2.371481 -1.244099 2.353270
H -0.764169 -1.901473 1.882637
H 2.281282 4.153373 0.706447
H 2.195275 3.207148 -0.802082
H 0.849891 4.289355 -0.343354
H 2.190915 -2.343385 1.399067
H 2.358088 -3.618698 0.123672
H 5.158097 -0.608445 0.090661
H 3.891561 -0.521306 1.381512
H -4.552222 -1.108671 -1.102746
H -2.926739 -1.747188 -1.572065
H -1.790669 -3.222520 0.043284
H -2.664664 -3.582331 1.586478


