%chk=000102531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102531

0 1
 O   -3.186200       2.103000     -0.5928000    
 O   -3.606800      -2.325800      0.5144000    
 O    3.938600       1.583700      0.6721000    
 O    4.668900      -1.077500      0.3386000    
 N   -1.769600     -0.8803000      0.4840000    
 N   -3.762700     -9.2699997E-02 -0.1148000    
 C   -1.495600      0.5061000      0.1645000    
 C  -0.5395000      0.6215000      -1.015100    
 C   -2.899100      0.9695000     -0.2324000    
 C   -1.005800       1.267900       1.388700    
 C   0.8510000      0.1717000     -0.6532000    
 C   -3.110800      -1.225300      0.3160000    
 C    1.759400       1.094400     -0.1538000    
 C    1.204300      -1.159500     -0.8239000    
 C    3.047500      0.6775000      0.1818000    
 C    2.492500      -1.576300     -0.4885000    
 C    3.414100     -0.6579000      1.4400000E-02
 H  -0.5021000       1.658100      -1.377600    
 H  -0.9024000      3.7099998E-02  -1.872400    
 H   -1.068300      -1.536500      0.8128000    
 H  -0.1466000      0.7872000       1.867800    
 H  -0.7478000       2.303600       1.142000    
 H   -1.791900       1.316400       2.153100    
 H   -4.754300     -4.7899999E-02 -0.3197000    
 H    1.476900       2.136800     -3.2000002E-02
 H   0.4970000      -1.883400      -1.218400    
 H    2.772100      -2.617800     -0.6221000    
 H    3.510200       2.455500      0.7205000    
 H    5.171000     -0.3127000      0.6699000    


%chk=000102531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102531

0 1
O -3.305021 2.106453 -0.688167
O -3.608770 -2.457230 0.480537
O 4.194478 1.466017 0.612954
O 4.759040 -1.154659 0.305534
N -1.809534 -0.891366 0.546712
N -3.793984 -0.167706 -0.199297
C -1.573221 0.529705 0.215005
C -0.551533 0.701042 -0.967719
C -2.981977 0.964021 -0.283889
C -1.178909 1.362018 1.456521
C 0.852003 0.218244 -0.642926
C -3.104932 -1.323000 0.307531
C 1.839740 1.123864 -0.168590
C 1.206552 -1.147531 -0.798986
C 3.129914 0.662068 0.143513
C 2.503519 -1.611376 -0.480777
C 3.472246 -0.709252 -0.004145
H -0.555661 1.773389 -1.236614
H -0.950945 0.144746 -1.836107
H -1.091003 -1.514925 0.910880
H -0.177274 1.069386 1.815232
H -1.168296 2.434981 1.196802
H -1.904738 1.207485 2.273226
H -4.779888 -0.200014 -0.459836
H 1.595038 2.188889 -0.059387
H 0.469286 -1.854051 -1.197525
H 2.782260 -2.661345 -0.607885
H 3.942488 2.417564 0.680976
H 5.303122 -0.381018 0.610328


