%chk=000049497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049497

0 1
 O    3.863300       2.164400      -1.286100    
 O  -0.4970000      0.8127000      0.4682000    
 O    1.493500      -3.500800      0.2210000    
 O   -4.022200     -0.6029000     -0.9807000    
 N    2.113400      0.5082000      0.2293000    
 C    1.761400     -0.7530000      0.8783000    
 C    2.289200      0.3193000      -1.217500    
 C    3.336700       1.073000      0.8156000    
 C   0.4875000      -1.327600      0.3453000    
 C    2.668300       1.645300      -1.870800    
 C    3.690000       2.381700      0.1146000    
 C  -0.6283000     -0.5119000      0.1523000    
 C   -1.808100      -1.053200     -0.3442000    
 C   0.4157000      -2.686800      3.9799999E-02
 C   -1.584100       1.658300      0.2964000    
 C   -2.787100       1.264700     -0.1696000    
 C   -2.966200     -0.1699000     -0.5367000    
 C   -1.885200      -2.414300     -0.6521000    
 C  -0.7692000      -3.229200     -0.4581000    
 C   -1.244400       3.072100      0.6718000    
 C   -3.999200       2.132900     -0.3393000    
 C   -1.548400       3.350900       2.129900    
 C    1.620500      -4.133800       1.492500    
 H    1.618900     -0.5894000       1.954900    
 H    2.597600      -1.455500      0.7785000    
 H    1.379200     -3.5900000E-02  -1.710800    
 H    3.082500     -0.4159000      -1.408700    
 H    4.171500      0.3678000      0.7109000    
 H    3.190100       1.270600       1.883600    
 H    2.860000       1.494100      -2.937900    
 H    1.863800       2.385500      -1.779500    
 H    2.919700       3.146300      0.2739000    
 H    4.632500       2.773700      0.5098000    
 H   -2.798800      -2.855100      -1.040900    
 H  -0.8303000      -4.287400     -0.6985000    
 H  -0.1786000       3.254100      0.4830000    
 H   -1.774900       3.789600      3.6200002E-02
 H   -4.253500       2.222700      -1.400600    
 H   -3.868100       3.142200      5.8200002E-02
 H   -4.856200       1.696500      0.1855000    
 H   -1.274800       4.380400       2.382500    
 H  -0.9829000       2.682700       2.788400    
 H   -2.613400       3.223400       2.350400    
 H    2.558000      -4.696500       1.502500    
 H   0.7924000      -4.831200       1.654100    
 H    1.648600      -3.393600       2.298300    


%chk=000049497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049497

0 1
O 4.606544 1.533705 -1.447929
O -0.806924 1.104845 0.728457
O 1.654740 -2.988658 0.591663
O -4.260662 -0.647145 -0.803194
N 2.346579 0.567266 0.100541
C 1.647597 -0.211574 1.164245
C 3.016005 -0.296679 -0.905618
C 3.313822 1.536261 0.674796
C 0.427838 -0.943634 0.633276
C 3.637742 0.574367 -2.007499
C 3.933911 2.382264 -0.450099
C -0.791437 -0.260709 0.405362
C -1.955672 -0.888413 -0.109523
C 0.439341 -2.334307 0.344228
C -1.973051 1.868995 0.522420
C -3.136522 1.322917 0.019702
C -3.196683 -0.112645 -0.334798
C -1.889111 -2.274768 -0.393913
C -0.713117 -3.000837 -0.167465
C -1.729311 3.289638 0.969651
C -4.402085 2.120737 -0.198512
C -1.985299 3.483591 2.489346
C 1.733179 -4.429344 0.328196
H 1.319629 0.515990 1.928792
H 2.330562 -0.944094 1.651930
H 2.268240 -0.976087 -1.352818
H 3.811801 -0.927532 -0.435538
H 4.135574 1.022199 1.236953
H 2.779495 2.199904 1.381951
H 4.211086 -0.037509 -2.723654
H 2.834412 1.124922 -2.543121
H 3.137520 2.979899 -0.944511
H 4.716002 3.054270 -0.058924
H -2.790612 -2.752022 -0.791576
H -0.687094 -4.071325 -0.387204
H -0.678978 3.545014 0.738596
H -2.369286 3.977058 0.391238
H -4.645243 2.165328 -1.276229
H -4.340260 3.147109 0.195636
H -5.252793 1.604295 0.280814
H -1.762588 4.523628 2.787673
H -1.343617 2.809111 3.082987
H -3.037998 3.268398 2.745341
H 2.761463 -4.710212 0.598407
H 1.553779 -4.653035 -0.740613
H 1.014881 -4.991979 0.954242


