%chk=000039684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039684

0 1
 O    3.490300     -0.3068000      0.3650000    
 O    3.424600      -2.586800      0.4088000    
 O  -0.4811000      -2.632400     -0.5021000    
 O    1.380200      -3.711400     -3.0500000E-02
 N  -0.6322000     -0.2461000     -0.6117000    
 N   0.7208000      -2.683100     -0.2185000    
 C   0.7007000     -0.3162000     -0.2983000    
 C    1.455300      0.9567000     -0.1627000    
 C   -1.403300      0.9401000     -0.4047000    
 C    2.815600      0.9141000      0.1641000    
 C    1.411200      -1.438600     -9.6000001E-02
 C   -2.830700      0.5919000     -8.5299999E-02
 C   0.8906000       2.230700     -0.3445000    
 C    2.839600      -1.522900      0.2425000    
 C    3.594000       2.066400      0.3106000    
 C    1.658400       3.394200     -0.2017000    
 C    3.008300       3.312300      0.1258000    
 C   -3.752200      0.4631000      -1.116500    
 C   -3.210800      0.4037000       1.237300    
 C   -5.076500      0.1406000     -0.8202000    
 C   -4.535200      8.0899999E-02   1.533600    
 C   -5.467900     -5.0500002E-02  0.5048000    
 H   -1.112000       1.512800      0.4829000    
 H   -1.458100       1.528800      -1.327900    
 H   -1.119800      -1.092300     -0.8767000    
 H  -4.8799999E-02   2.513000     -0.7730000    
 H    4.647900       1.994800      0.5632000    
 H    1.209400       4.367100     -0.3852000    
 H    3.601700       4.215900      0.2264000    
 H   -3.459700      0.6059000      -2.153100    
 H   -2.494100      0.4984000       2.048300    
 H   -5.802600      3.7200000E-02  -1.621100    
 H   -4.839900     -6.9100000E-02   2.565100    
 H   -6.498900     -0.3023000      0.7355000    


%chk=000039684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039684

0 1
O 3.389540 -0.204338 0.788291
O 3.485242 -2.480446 0.583947
O -0.585322 -2.645805 -0.561278
O 1.081085 -3.682960 0.580322
N -0.597927 -0.094678 -0.613651
N 0.610356 -2.628663 0.024335
C 0.722865 -0.125527 -0.282741
C 1.549288 1.091977 -0.214951
C -1.559073 1.029606 -0.582792
C 2.839404 1.005719 0.386892
C 1.357394 -1.383075 0.035038
C -2.948536 0.540528 -0.183010
C 1.171531 2.359941 -0.755925
C 2.761163 -1.486606 0.448092
C 3.657749 2.143376 0.569480
C 1.992611 3.488889 -0.611311
C 3.227569 3.387965 0.081981
C -4.075656 0.903558 -0.958921
C -3.135229 -0.246231 0.982176
C -5.373284 0.495342 -0.574707
C -4.429695 -0.660271 1.363224
C -5.552848 -0.288494 0.587226
H -1.202267 1.789512 0.137637
H -1.623786 1.514598 -1.576921
H -0.988930 -1.060832 -0.745697
H 0.251415 2.458721 -1.331801
H 4.626272 2.013209 1.059990
H 1.680824 4.445283 -1.041754
H 3.861692 4.271149 0.209925
H -3.941031 1.502583 -1.868280
H -2.270555 -0.539786 1.588952
H -6.237752 0.781070 -1.183786
H -4.562580 -1.273409 2.261031
H -6.556731 -0.611803 0.883189


