%chk=000100359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100359

0 1
 O   -1.427200       3.067200      8.4700003E-02
 O   0.7065000       2.533300      6.5099999E-02
 O   0.3002000      -3.754700     -9.9399999E-02
 O    1.903600      -2.249300     -6.5099999E-02
 N    1.490600      0.1532000     -1.9999999E-04
 N   -3.936900     -0.8510000     -1.0900000E-02
 N  -0.5071000       2.215000      5.9599999E-02
 N   0.6924000      -2.566300     -6.9200002E-02
 N   -3.332000       1.287100      4.3800000E-02
 C    2.223100      0.2983000       1.262300    
 C    2.214200      0.3685000      -1.257900    
 C    3.701700     -2.7400000E-02   1.063100    
 C    3.369700       1.345100      -1.049500    
 C    4.356200      0.8613000      9.2000002E-03
 C   0.1371000     -0.1775000     -5.1000002E-03
 C  -0.8516000      0.8386000      2.4599999E-02
 C  -0.2829000      -1.527900     -3.9200000E-02
 C   -2.212200      0.4877000      1.9400001E-02
 C   -2.565700     -0.8584000     -1.5000000E-02
 C   -1.632500      -1.895400     -4.5000002E-02
 C   -4.347100      0.4526000      2.4900001E-02
 H    1.814100     -0.3801000       2.021400    
 H    2.119300       1.313500       1.659900    
 H    1.540100      0.7835000      -2.017700    
 H    2.597900     -0.5744000      -1.661400    
 H    3.833500      -1.074500      0.7728000    
 H    4.235600      8.5400000E-02   2.014200    
 H    2.992400       2.330000     -0.7558000    
 H    3.899600       1.499700      -1.996900    
 H    4.818500       1.732800      0.4884000    
 H    5.173300      0.3053000     -0.4662000    
 H   -1.972400      -2.925000     -7.1099997E-02
 H   -4.537400      -1.664400     -3.0700000E-02
 H   -5.393100      0.7239000      3.5200000E-02


%chk=000100359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100359

0 1
O -1.024852 2.592302 1.923116
O 0.154413 2.839205 -0.017497
O 0.222633 -3.525007 -1.547886
O 1.657068 -2.726905 0.035173
N 1.528125 0.161110 0.015731
N -4.005534 -0.830876 -0.190689
N -0.538261 2.132905 0.822993
N 0.593796 -2.614447 -0.697798
N -3.349497 1.143638 0.760240
C 2.127714 1.037227 1.061345
C 2.466879 -0.310215 -1.037421
C 3.599762 0.639784 1.283959
C 3.560323 0.750840 -1.271221
C 4.439506 0.917016 0.002758
C 0.180387 -0.172838 0.003914
C -0.838763 0.736637 0.457897
C -0.297698 -1.456636 -0.496783
C -2.211807 0.393953 0.401732
C -2.600603 -0.847567 -0.208540
C -1.664747 -1.771178 -0.671091
C -4.388896 0.374597 0.392373
H 1.542346 0.918210 1.991004
H 2.072832 2.103937 0.764301
H 1.888548 -0.495759 -1.961696
H 2.933838 -1.272046 -0.743209
H 3.647060 -0.430660 1.556826
H 3.995098 1.212543 2.142322
H 3.082750 1.710293 -1.543800
H 4.176935 0.438661 -2.133649
H 4.855154 1.941081 0.031815
H 5.298553 0.221885 -0.032073
H -1.924186 -2.743277 -1.097261
H -4.624628 -1.562964 -0.534833
H -5.432748 0.650250 0.530246


