%chk=000048363.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048363

0 1
 O   0.1081000      -2.729300     -0.1132000    
 O  -0.1896000      -1.876600      -2.230600    
 O   -4.890600      0.1325000      -1.463400    
 O   -2.618600      0.2357000       2.751300    
 O   -4.818500      0.8879000       1.200200    
 N    3.895800     -0.2363000      0.4152000    
 C    4.026800      -1.471100       1.180000    
 C    2.760500      -2.315000       1.046300    
 C    3.087000      0.7399000       1.147200    
 C    2.499300      -2.692000     -0.4111000    
 C    5.213600      0.3232000      0.1098000    
 C    2.475900       1.764100      0.2283000    
 C    1.216000      -3.498500     -0.5615000    
 C    6.070600     -0.6745000     -0.6509000    
 C    3.165400       2.941900     -6.0199998E-02
 C    1.220300       1.535400     -0.3343000    
 C    2.599200       3.891000     -0.9112000    
 C   0.6541000       2.484400      -1.185400    
 C  -0.5060000      -1.959600      -1.054100    
 C    1.343500       3.662200      -1.473800    
 C   -1.641100      -1.208400     -0.4609000    
 C   -1.601900     -0.8307000      0.8812000    
 C   -2.747700     -0.8826000      -1.245100    
 C   -3.815200     -0.1792000     -0.6871000    
 C   -2.669300     -0.1271000       1.439200    
 C   -3.775900      0.1986000      0.6550000    
 C   -4.851200     -0.2905000      -2.824900    
 C   -1.451600     -0.1362000       3.481900    
 C   -4.759100       2.310800       1.132200    
 H    4.234300      -1.265600       2.238400    
 H    4.836700      -2.120300      0.8387000    
 H    2.889400      -3.231800       1.635800    
 H    1.894100      -1.802200       1.475800    
 H    3.666900       1.237400       1.937500    
 H    2.255400      0.2659000       1.683100    
 H    3.340200      -3.278400     -0.7995000    
 H    2.416300      -1.789300      -1.026500    
 H    5.111500       1.195100     -0.5427000    
 H    5.745200      0.6453000       1.014000    
 H    1.083600      -3.835000      -1.596600    
 H    1.261800      -4.401000      5.7599999E-02
 H    6.891500     -0.1420000      -1.145600    
 H    5.505600      -1.190500      -1.434800    
 H    6.543200      -1.414200      2.3000001E-03
 H    4.137300       3.143500      0.3821000    
 H   0.6824000      0.6200000     -0.1205000    
 H    3.134300       4.809700      -1.133000    
 H  -0.3232000       2.304900      -1.624200    
 H   0.9023000       4.401400      -2.136100    
 H  -0.7162000      -1.089900       1.449900    
 H   -2.726900      -1.204900      -2.280700    
 H   -4.033300      0.1890000      -3.373500    
 H   -4.827400      -1.382400      -2.908300    
 H   -5.783900      4.2599998E-02  -3.292100    
 H   -1.343900      -1.224400       3.546300    
 H  -0.5540000      0.3507000       3.085100    
 H   -1.583300      0.2297000       4.505700    
 H   -3.881100       2.686000       1.667400    
 H   -4.735000       2.646200      9.0499997E-02
 H   -5.657000       2.714200       1.608200    


%chk=000048363-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048363

0 1
O 0.190422 -2.984907 0.689134
O 0.088320 -2.136883 -1.484703
O -3.515397 1.605881 -0.945280
O -3.691645 -0.805203 3.188640
O -4.635487 1.111019 1.599201
N 3.820683 -0.121225 0.092192
C 4.096840 -1.083919 1.191239
C 2.950971 -2.094926 1.433064
C 2.828363 0.915725 0.476276
C 2.652118 -2.954646 0.186495
C 5.055708 0.475186 -0.486462
C 2.221475 1.642740 -0.721740
C 1.377538 -3.805675 0.299699
C 5.851818 -0.507522 -1.365798
C 2.063739 3.050770 -0.706899
C 1.766019 0.915686 -1.851774
C 1.461538 3.724635 -1.795491
C 1.169058 1.585558 -2.942150
C -0.347300 -2.154660 -0.303103
C 1.012969 2.993166 -2.919298
C -1.455023 -1.309191 0.215737
C -2.018630 -1.520269 1.497027
C -1.929593 -0.273114 -0.620467
C -2.971068 0.566193 -0.174761
C -3.066743 -0.685290 1.942109
C -3.553129 0.377494 1.116800
C -2.930520 1.832610 -2.273266
C -3.249698 -1.904706 4.049318
C -4.539912 2.587185 1.599386
H 4.325948 -0.551610 2.150588
H 5.008470 -1.647815 0.920032
H 3.233813 -2.739170 2.290854
H 2.028972 -1.564875 1.739016
H 3.266400 1.670097 1.179910
H 2.015282 0.409719 1.031152
H 3.497161 -3.648887 -0.004517
H 2.579888 -2.292460 -0.692507
H 4.742409 1.329846 -1.113261
H 5.718387 0.890746 0.316060
H 1.156967 -4.308473 -0.659408
H 1.440676 -4.547607 1.113858
H 6.722723 0.003934 -1.816420
H 5.210513 -0.892015 -2.178057
H 6.235107 -1.371606 -0.792921
H 2.417833 3.624046 0.159625
H 1.887277 -0.172092 -1.870279
H 1.351872 4.815050 -1.770110
H 0.829788 1.008513 -3.810494
H 0.559053 3.513946 -3.770766
H -1.620102 -2.323178 2.119597
H -1.465409 -0.151734 -1.602340
H -1.856227 2.086673 -2.200336
H -3.062255 0.945249 -2.921433
H -3.491836 2.682612 -2.688672
H -3.408776 -2.886363 3.562230
H -2.182503 -1.798810 4.327141
H -3.877009 -1.829346 4.949501
H -3.668381 2.911832 2.199137
H -4.461970 2.977951 0.572408
H -5.470903 2.923815 2.079688


