%chk=000030178.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030178

0 1
 O   0.6833000       1.981200      -1.382300    
 O   -2.155400     -8.7499999E-02   1.669300    
 O    2.287300      -1.177500       1.636200    
 O   -1.252200      -4.402500      -1.269300    
 N  -0.7984000      0.9118000      5.3100001E-02
 N    1.523200      0.3523000      4.5600001E-02
 C   -1.849200       1.810800     -0.3590000    
 C    2.863700      0.6769000     -0.3788000    
 C   -3.012200       1.035100     -0.9832000    
 C   -2.318800       2.664200      0.8216000    
 C    3.689800       1.209200      0.7950000    
 C    3.531600     -0.5399000      -1.023700    
 C   -4.158900       1.962400      -1.377300    
 C   -3.467500       3.588500      0.4260000    
 C    5.128100       1.508100      0.3802000    
 C    4.970700     -0.2398000      -1.434900    
 C  -5.1899999E-02  -1.101000       1.217600    
 C   -4.624000       2.813700     -0.1993000    
 C    5.791300      0.2943000     -0.2644000    
 C   0.4810000       1.133000     -0.5063000    
 C   -1.102900     -4.0800001E-02   1.030600    
 C    1.367100     -0.6429000       1.015700    
 C  -0.3410000      -2.263200      0.2704000    
 C   -1.725800      -2.845900      0.5195000    
 C   -2.046700      -3.990400     -0.4255000    
 C   -3.412200      -4.610100     -0.2769000    
 H   -1.481700       2.502600      -1.126400    
 H    2.845200       1.467600      -1.138400    
 H   -3.415800      0.2737000     -0.3083000    
 H   -2.661300      0.4956000      -1.872000    
 H   -1.481800       3.270400       1.191400    
 H   -2.662600       2.078200       1.676800    
 H    3.737900      0.5211000       1.642200    
 H    3.229100       2.127500       1.180800    
 H    2.960400     -0.8488000      -1.908400    
 H    3.548600      -1.408900     -0.3580000    
 H   -4.998300       1.370300      -1.759100    
 H   -3.833600       2.617600      -2.194800    
 H   -3.103000       4.337500     -0.2878000    
 H   -3.822500       4.135900       1.306600    
 H    5.707600       1.824900       1.254900    
 H    5.136800       2.346500     -0.3273000    
 H    4.971300      0.4978000      -2.247000    
 H    5.439100      -1.148100      -1.830500    
 H  -0.1246000      -1.438200       2.260500    
 H   -5.399000       3.513000     -0.5328000    
 H   -5.081600       2.166900      0.5595000    
 H    6.795800      0.5631000     -0.6104000    
 H    5.912300     -0.4964000      0.4864000    
 H   0.4180000      -3.046200      0.3979000    
 H  -0.2632000      -1.935000     -0.7749000    
 H   -1.803300      -3.219800       1.546000    
 H   -2.509500      -2.102200      0.3503000    
 H   -4.179600      -3.857000     -0.4720000    
 H   -3.524400      -5.011100      0.7334000    
 H   -3.527200      -5.426400     -0.9955000    


%chk=000030178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030178

0 1
O 0.702981 2.005904 -1.173058
O -2.283675 -0.205104 1.669202
O 2.273520 -1.415200 1.605509
O -1.944050 -3.788685 -1.712569
N -0.839271 0.888370 0.185299
N 1.526653 0.261860 0.150408
C -1.905762 1.856879 -0.272372
C 2.926734 0.612322 -0.299578
C -3.068705 1.124485 -0.983704
C -2.405636 2.775018 0.870554
C 3.762146 1.214325 0.857483
C 3.638120 -0.581122 -0.979832
C -4.070910 2.163895 -1.542902
C -3.415792 3.803357 0.301550
C 5.152135 1.647779 0.329882
C 5.027334 -0.130424 -1.497296
C -0.120960 -1.231753 1.268067
C -4.588758 3.102056 -0.425869
C 5.885416 0.472013 -0.358141
C 0.473712 1.090237 -0.338108
C -1.159841 -0.137953 1.093849
C 1.321119 -0.798197 1.055249
C -0.440728 -2.415955 0.280484
C -1.739950 -3.159142 0.642672
C -2.317315 -3.969918 -0.522554
C -3.381280 -4.999498 -0.164241
H -1.390114 2.488010 -1.017937
H 2.773804 1.399756 -1.059324
H -3.586244 0.460567 -0.268410
H -2.668926 0.497510 -1.803781
H -1.545719 3.298125 1.331599
H -2.890644 2.164640 1.652659
H 3.882960 0.461991 1.657593
H 3.228170 2.084024 1.286795
H 3.018731 -0.953331 -1.818661
H 3.763457 -1.407400 -0.258119
H -4.916292 1.639277 -2.027493
H -3.576020 2.770349 -2.329420
H -2.895991 4.477216 -0.410657
H -3.797284 4.438746 1.123554
H 5.758738 2.041324 1.167782
H 5.031574 2.478111 -0.396528
H 4.899260 0.626798 -2.298555
H 5.546897 -0.994216 -1.954328
H -0.200832 -1.614406 2.299864
H -5.277577 3.857221 -0.851113
H -5.171293 2.508837 0.308202
H 6.860860 0.812076 -0.756184
H 6.098505 -0.315543 0.393279
H 0.414824 -3.114711 0.315235
H -0.511352 -2.043090 -0.758130
H -1.594268 -3.826383 1.515091
H -2.524503 -2.437795 0.956782
H -4.077452 -4.611013 0.601060
H -2.893218 -5.896106 0.266199
H -3.938186 -5.304029 -1.064037


