%chk=000045122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045122

0 1
 O  -0.2204000     -0.4968000       1.537500    
 O  -2.0800000E-02  -2.690400      0.8412000    
 N   -3.573700     -0.6354000     -0.9969000    
 C   9.3000002E-02 -4.6700001E-02  0.2027000    
 C   -1.089700     -0.6087000     -0.6919000    
 C   -2.470400     -6.5300003E-02 -0.2262000    
 C    1.493100     -0.5641000     -0.1875000    
 C   0.1426000       1.494100      0.2103000    
 C  -0.9000000     -0.2670000      -2.187500    
 C    2.580900      0.1966000      0.1516000    
 C   0.4696000       2.137200     -0.9549000    
 C    1.578300      -1.758000     -0.8539000    
 C  -0.1424000       2.145100       1.382200    
 C   -3.594600      -2.091600     -0.8613000    
 C   -4.849100     -6.4199999E-02 -0.5646000    
 C  -0.2391000      -1.845400       1.698800    
 C    3.846700     -0.2709000     -0.2017000    
 C   0.5149000       3.531400     -0.9479000    
 C    2.844100      -2.225700      -1.207000    
 C  -9.7199999E-02   3.539300       1.389300    
 C    3.978300      -1.482000     -0.8809000    
 C   0.2314000       4.232300      0.2241000    
 C  -0.5756000      -2.163700       3.124200    
 H   -1.136300      -1.691000     -0.6494000    
 H   -2.615000     -0.2677000      0.8426000    
 H   -2.488200       1.024700     -0.3479000    
 H   -1.516000     -0.9378000      -2.799300    
 H   -1.239800      0.7450000      -2.429500    
 H   0.1202000     -0.3956000      -2.553400    
 H    2.537600       1.116700      0.7226000    
 H   0.7515000       1.632400      -1.869600    
 H   0.7458000      -2.348000      -1.213600    
 H  -0.4045000       1.646100       2.308000    
 H   -3.539700      -2.417500      0.1840000    
 H   -2.797300      -2.574300      -1.433800    
 H   -4.521500      -2.499200      -1.283700    
 H   -4.847000       1.024300     -0.6905000    
 H   -5.069500     -0.2899000      0.4852000    
 H   -5.671300     -0.4465000      -1.179800    
 H    4.731000      0.3023000      6.1299998E-02
 H   0.7836000       4.071000      -1.851300    
 H    2.946700      -3.159600      -1.752000    
 H  -0.3177000       4.085800       2.301700    
 H    4.963800      -1.845300      -1.157400    
 H   0.2696000       5.317600      0.2304000    
 H   -1.565700      -1.770000       3.367600    
 H   0.1822000      -1.739900       3.787900    
 H  -0.5893000      -3.248900       3.259300    


%chk=000045122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045122

0 1
O -0.113609 -0.510126 1.489395
O -0.301066 -2.799091 0.981220
N -3.574816 -0.881529 -0.905913
C 0.111522 -0.042052 0.036570
C -1.091951 -0.514020 -0.858236
C -2.471767 -0.135495 -0.248277
C 1.485351 -0.613299 -0.372718
C 0.131389 1.493730 0.171538
C -1.020603 0.023868 -2.306938
C 2.649982 -0.079550 0.241908
C 0.784730 2.281519 -0.811698
C 1.636718 -1.701307 -1.267091
C -0.546851 2.154739 1.226359
C -3.712677 -2.264889 -0.403478
C -4.860107 -0.156699 -0.862897
C -0.233104 -1.862484 1.809338
C 3.927816 -0.604710 -0.040506
C 0.757130 3.691336 -0.745440
C 2.916036 -2.222829 -1.560581
C -0.568789 3.565829 1.297726
C 4.067900 -1.677646 -0.951377
C 0.079786 4.342304 0.311154
C -0.248275 -2.026858 3.317332
H -1.039383 -1.615696 -0.890388
H -2.472552 -0.306670 0.855725
H -2.647106 0.945305 -0.404574
H -1.886962 -0.382915 -2.856822
H -1.088720 1.126105 -2.330855
H -0.095397 -0.274343 -2.830101
H 2.549435 0.752479 0.947399
H 1.327684 1.790419 -1.626177
H 0.760758 -2.164190 -1.728126
H -1.037390 1.560389 2.001404
H -4.052710 -2.305982 0.663852
H -2.749650 -2.798632 -0.465481
H -4.449016 -2.812315 -1.019239
H -4.744257 0.839978 -1.324472
H -5.260105 -0.014291 0.174246
H -5.618696 -0.715429 -1.441169
H 4.811701 -0.177989 0.446830
H 1.269808 4.278905 -1.515319
H 3.009514 -3.064062 -2.256369
H -1.091499 4.057010 2.126490
H 5.059398 -2.086071 -1.177299
H 0.062655 5.436548 0.367157
H -0.866711 -1.248530 3.793482
H 0.780712 -1.917764 3.705687
H -0.623157 -3.028200 3.575829


