%chk=000159108.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159108

0 1
 O   -3.619600      0.7039000     -0.5271000    
 O    2.594000      -2.195300      0.3765000    
 N   -1.451900      3.9099999E-02 -2.9899999E-02
 N   -1.955100       2.309500     -0.2385000    
 N   0.6582000     -0.8706000      0.1982000    
 N   0.3722000       1.542800      0.2615000    
 N    2.785300      9.1600001E-02  0.4761000    
 C  -0.6194000       2.635300      0.3412000    
 C  -9.5299996E-02  0.3550000      0.1526000    
 C   -1.574300      -1.360800     -6.2399998E-02
 C   -2.449600      0.9843000     -0.2626000    
 C  -0.2968000      -1.921000      7.3899999E-02
 C   3.9999999E-02   3.830300     -0.3695000    
 C  -0.7771000       2.961500       1.838400    
 C   -2.858800       3.403100     -0.5918000    
 C   -2.702300      -2.149500     -0.2119000    
 C    2.053600      -1.088200      0.3515000    
 C  -0.1241000      -3.295700      6.6100001E-02
 C   -2.533000      -3.535100     -0.2190000    
 C   -1.256800      -4.102400     -8.1299998E-02
 C    4.220100      0.1028000      0.6425000    
 C    4.958500      0.1547000     -0.6897000    
 C    4.632200       1.404500      -1.494900    
 H   0.1339000       3.638900      -1.444900    
 H  -0.5325000       4.754600     -0.2390000    
 H    1.049200       4.013900      1.8200001E-02
 H   -1.223600       2.119800       2.380600    
 H   0.1932000       3.172000       2.303200    
 H   -1.420800       3.833200       1.996700    
 H   -3.836500       3.031200     -0.9090000    
 H   -2.428300       3.971400      -1.420400    
 H   -2.999700       4.052900      0.2755000    
 H   -3.697000      -1.734400     -0.3164000    
 H   0.8435000      -3.769900      0.1680000    
 H   -3.398100      -4.183200     -0.3321000    
 H   -1.148500      -5.183900     -9.0300001E-02
 H    2.305100      0.9841000      0.4440000    
 H    4.525900     -0.7887000       1.200600    
 H    4.467700      0.9793000       1.250800    
 H    6.037600      0.1249000     -0.5000000    
 H    4.711500     -0.7291000      -1.289600    
 H    4.860200       2.309800     -0.9233000    
 H    5.226700       1.425500      -2.413800    
 H    3.575900       1.433600      -1.780200    


%chk=000159108-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159108

0 1
O -3.584810 0.718897 -0.608487
O 2.535782 -2.286952 0.405486
N -1.452769 -0.011971 0.029155
N -1.853435 2.288653 -0.287333
N 0.607662 -0.946042 0.221529
N 0.443599 1.484676 0.238250
N 2.729769 0.054849 0.471854
C -0.504450 2.625466 0.335407
C -0.080746 0.285892 0.174560
C -1.637079 -1.424246 -0.017480
C -2.393916 1.007272 -0.298252
C -0.345595 -2.011286 0.110389
C 0.136692 3.813323 -0.411883
C -0.712622 2.957754 1.839919
C -2.751959 3.395079 -0.669775
C -2.796965 -2.201038 -0.156833
C 2.039863 -1.123907 0.372319
C -0.179249 -3.406287 0.111547
C -2.630029 -3.608264 -0.157186
C -1.348573 -4.196082 -0.023711
C 4.196007 0.064656 0.592095
C 4.915774 0.302603 -0.757905
C 4.596310 1.674411 -1.389780
H 0.230567 3.588747 -1.487885
H -0.438973 4.744451 -0.279734
H 1.148756 3.969190 -0.003069
H -1.143748 2.090424 2.369991
H 0.258001 3.203246 2.303592
H -1.389498 3.821676 1.965473
H -3.734901 2.963296 -0.912113
H -2.365843 3.928782 -1.554986
H -2.874669 4.115319 0.160200
H -3.772692 -1.725813 -0.269900
H 0.815257 -3.842108 0.210915
H -3.511489 -4.249038 -0.264817
H -1.252192 -5.286961 -0.026796
H 2.176510 0.937042 0.415562
H 4.504779 -0.907954 1.012880
H 4.477281 0.858543 1.311014
H 6.006553 0.215914 -0.581687
H 4.638870 -0.511814 -1.453806
H 4.893039 2.501914 -0.716645
H 5.135699 1.808072 -2.344805
H 3.514834 1.775319 -1.598767


