%chk=000002338.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002338

0 1
 O   -1.004100       2.090700       1.101000    
 O    2.865000      0.3914000     -0.5306000    
 O    1.820700      0.8170000      -2.531500    
 O   -4.847200       1.092100      0.6438000    
 N   0.6450000      0.7476000     -0.5319000    
 N   -2.664400       2.282900     -0.5085000    
 N   -2.836300      -3.289800      0.3412000    
 N   -5.018600      -4.192900     -0.1869000    
 N   -3.416700      -5.514800      0.9516000    
 C   -1.408800     -0.2532000      -1.466500    
 C  -0.6698000       1.025300      -1.051200    
 C   -1.731200      -1.196400     -0.2992000    
 C   -2.520100      -2.414100     -0.7811000    
 C   -1.444000       1.839800     -1.9200001E-02
 C   -3.564500       3.104200      0.2669000    
 C   -3.592800      -4.477300     -6.0899999E-02
 C   -4.412200       4.002600     -0.6155000    
 C    1.780100      0.6665000      -1.314700    
 C   -4.442700       2.169100       1.082300    
 C   -4.847100       2.648900       2.452600    
 C    4.117800      0.2789000      -1.215100    
 C    5.196200     -2.2800000E-02 -0.2165000    
 C    5.886900       1.020200      0.4007000    
 C    5.508100      -1.346300      9.5200002E-02
 C    6.889300      0.7400000       1.329200    
 C    6.510400      -1.626400       1.023900    
 C    7.201000     -0.5833000       1.640800    
 H  -0.7993000     -0.7965000      -2.200400    
 H   -2.342800      7.4999998E-03  -1.978700    
 H  -0.5490000       1.657000      -1.940900    
 H  -0.8010000      -1.525000      0.1803000    
 H   -2.316600     -0.6650000      0.4605000    
 H   -1.921800      -2.957700      -1.522000    
 H   -3.438400      -2.074500      -1.274000    
 H   0.7487000      0.5858000      0.4657000    
 H   -2.967300       3.712200      0.9557000    
 H   -2.958400       2.008300      -1.440900    
 H   -3.355400      -2.784400       1.057400    
 H   -3.214400      -4.877100      -1.008500    
 H   -3.781100       4.663600      -1.218900    
 H   -5.083600       4.624000     -1.3900000E-02
 H   -5.032300       3.416100      -1.303000    
 H   -3.954100       2.823400       3.057800    
 H   -5.459100       1.887000       2.943500    
 H   -5.429900       3.568700       2.364200    
 H   -5.507000      -5.046700     -0.4531000    
 H   -5.168300      -3.531400     -0.9469000    
 H   -2.420900      -5.694400       1.073600    
 H   -3.752500      -5.162300       1.846800    
 H    4.060200     -0.5215000      -1.963200    
 H    4.338900       1.217200      -1.739000    
 H    5.651700       2.055400      0.1679000    
 H    4.975700      -2.167500     -0.3772000    
 H    7.426700       1.552100       1.810100    
 H    6.752800      -2.656700       1.267200    
 H    7.981300     -0.8015000       2.364100    


%chk=000002338-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000002338

0 1
O -1.449730 2.804424 0.901095
O 2.878633 1.742296 -0.125356
O 1.962855 1.104256 -2.212896
O -4.444895 0.901909 0.979124
N 0.623159 1.745978 -0.401178
N -2.946971 2.503735 -0.837022
N -2.017029 -2.872112 0.849033
N -3.295861 -4.825050 0.109304
N -2.052295 -5.008383 2.083109
C -1.053709 0.134793 -1.372342
C -0.648390 1.620904 -1.114449
C -1.349100 -0.668350 -0.089494
C -1.674357 -2.145298 -0.393349
C -1.703166 2.359582 -0.264823
C -4.052380 3.083934 -0.061131
C -2.061351 -4.349951 0.777551
C -5.279677 3.316486 -0.970157
C 1.817915 1.491698 -1.017598
C -4.450481 2.150969 1.121355
C -4.841327 2.837161 2.414719
C 4.247389 1.422487 -0.652332
C 4.645762 -0.005545 -0.345167
C 5.364019 -0.312802 0.838070
C 4.304899 -1.054863 -1.238351
C 5.732771 -1.645001 1.130373
C 4.672186 -2.387107 -0.946890
C 5.387156 -2.685740 0.237146
H -0.224194 -0.325684 -1.941218
H -1.940572 0.116000 -2.041219
H -0.556394 2.119212 -2.101339
H -0.481228 -0.633254 0.594251
H -2.208168 -0.218767 0.446395
H -0.785878 -2.638019 -0.838339
H -2.483219 -2.177700 -1.169413
H 0.586705 2.110075 0.557324
H -3.707401 4.043527 0.365625
H -3.157179 2.031260 -1.717952
H -2.869803 -2.500770 1.295311
H -1.125259 -4.643156 0.245612
H -5.023149 4.001534 -1.797258
H -6.108985 3.768529 -0.399543
H -5.640720 2.359881 -1.390552
H -3.913559 3.197211 2.901373
H -5.352989 2.136004 3.091480
H -5.476681 3.723765 2.233769
H -3.368150 -5.847668 0.078253
H -3.479105 -4.379959 -0.795078
H -1.244292 -4.750234 2.658179
H -2.947304 -4.899529 2.574456
H 4.245987 1.620020 -1.738221
H 4.889075 2.148048 -0.127777
H 5.630459 0.493435 1.532857
H 3.741948 -0.816540 -2.147990
H 6.288073 -1.870978 2.047661
H 4.405112 -3.191023 -1.642140
H 5.673646 -3.719628 0.461247


