%chk=000145607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145607

0 1
 O   -3.525700       2.634700      -1.071200    
 O   -1.522600       2.096300     -0.3394000    
 N    2.172700     -0.6790000     -0.8391000    
 N    2.019600      0.3846000       1.106400    
 N   -2.741900       1.851600     -0.4876000    
 N  -0.9050000      -1.704900      -2.129500    
 C    3.460800     -0.3584000     -0.4949000    
 C    3.338700      0.3047000      0.7230000    
 C    1.348900     -0.2144000      0.1481000    
 C  -2.9999999E-02 -0.4391000     -4.1000000E-03
 C   -2.450800     -0.2862000      0.6904000    
 C    4.684900     -0.5848000      -1.125000    
 C   -1.015300     -3.8300000E-02  0.8873000    
 C    4.496000      0.7770000       1.364600    
 C   -3.259200      0.6305000      3.0600000E-02
 C    5.826500     -0.1078000     -0.4725000    
 C    5.736000      0.5612000      0.7503000    
 C   -2.978300      -1.471200       1.188700    
 C   -4.617500      0.3583000     -0.1337000    
 C   -4.336400      -1.743500       1.024200    
 C   -5.155900     -0.8286000      0.3631000    
 C  -0.5455000      -1.142800      -1.180000    
 H    1.907900      -1.173000      -1.681400    
 H    4.752500      -1.104300      -2.074000    
 H  -0.7466000      0.4846000       1.802600    
 H    4.436300       1.297900       2.314800    
 H    6.802400     -0.2612000     -0.9264000    
 H    6.641100      0.9203000       1.233400    
 H   -2.353300      -2.193900       1.707500    
 H   -5.291100       1.043400     -0.6423000    
 H   -4.755900      -2.667500       1.411100    
 H   -6.213400      -1.041100      0.2355000    


%chk=000145607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145607

0 1
O -3.858064 3.192416 0.495703
O -1.805922 2.535562 -0.239607
N 2.400165 -1.186564 -0.804113
N 1.881588 0.501846 0.650447
N -2.994845 2.277468 0.202137
N -0.504099 -2.863956 -1.857764
C 3.625137 -0.630033 -0.419783
C 3.276714 0.430227 0.493812
C 1.386497 -0.474984 -0.139598
C -0.039524 -0.785882 -0.302558
C -2.447564 -0.205601 0.311510
C 4.960972 -0.927367 -0.760121
C -0.996554 0.018621 0.288608
C 4.294568 1.217198 1.084452
C -3.405721 0.858053 0.355304
C 5.957129 -0.130365 -0.158892
C 5.629753 0.924197 0.747908
C -2.975698 -1.528474 0.395290
C -4.791831 0.624612 0.489094
C -4.357079 -1.773874 0.508620
C -5.272746 -0.695756 0.562220
C -0.338925 -1.917669 -1.142489
H 2.254872 -1.958643 -1.454887
H 5.222523 -1.731868 -1.454763
H -0.594476 0.895952 0.806266
H 4.036149 2.024352 1.775824
H 7.009694 -0.323136 -0.393193
H 6.439788 1.515864 1.187388
H -2.282350 -2.373755 0.410308
H -5.465693 1.484528 0.517861
H -4.717725 -2.805728 0.569055
H -6.346833 -0.882140 0.656462


