%chk=000104275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104275

0 1
 O    1.758400      0.2519000     -0.6352000    
 O   -2.667700      -2.861200      2.9999999E-02
 O   0.9352000     -0.8152000       1.224500    
 N  -0.4487000     -0.1717000     -0.5238000    
 C   -2.936600       1.620300     -0.1462000    
 C   -2.900000      0.1281000     -0.5343000    
 C   -1.697800     -0.6466000      9.6000005E-03
 C    3.076500      0.1930000     -7.8400001E-02
 C   -2.912100       1.828700       1.368700    
 C   -1.752500       2.350100     -0.7865000    
 C    3.446500      -1.273200      0.1411000    
 C    4.028400      0.8434000      -1.079800    
 C    3.080800      0.9598000       1.243400    
 C   -1.775000      -2.112600     -0.3601000    
 C   0.7646000     -0.2948000      0.1269000    
 H   -3.865700       2.045700     -0.5455000    
 H   -2.936600      3.8500000E-02  -1.628600    
 H   -3.821200     -0.3445000     -0.1679000    
 H   -1.653100     -0.6078000       1.103200    
 H   -3.713100       1.259300       1.851600    
 H   -3.065200       2.886900       1.607500    
 H   -1.959400       1.528600       1.815900    
 H  -0.8160000       2.224200     -0.2372000    
 H   -1.613400       2.067000      -1.834700    
 H   -1.954000       3.428500     -0.7784000    
 H  -0.4292000      0.1819000      -1.475700    
 H    3.169700      -1.882300     -0.7272000    
 H    4.528000      -1.375700      0.2912000    
 H    2.984500      -1.732900       1.018400    
 H    3.735600       1.881200      -1.276300    
 H    3.991800      0.3237000      -2.044100    
 H    5.063300      0.8375000     -0.7224000    
 H    2.615900      0.4301000       2.078500    
 H    4.109400       1.168200       1.561200    
 H    2.560300       1.919200       1.141000    
 H  -0.9945000      -2.499500      -1.038800    


%chk=000104275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104275

0 1
O 1.867726 -0.071738 -0.794921
O -3.291139 -2.529624 -0.723110
O 0.700928 -0.292498 1.266496
N -0.360013 -0.462214 -0.813797
C -2.879499 1.671571 0.022201
C -2.763824 0.345945 -0.782119
C -1.710229 -0.669547 -0.272666
C 3.232416 0.162703 -0.154033
C -3.394808 1.429974 1.462180
C -1.568825 2.495449 0.039091
C 3.626877 -1.078546 0.670551
C 4.134194 0.333813 -1.388521
C 3.182202 1.447532 0.696349
C -2.120652 -2.133890 -0.523749
C 0.741063 -0.279019 0.004814
H -3.647700 2.274753 -0.507287
H -2.543607 0.579090 -1.844288
H -3.743493 -0.170001 -0.771413
H -1.598020 -0.584661 0.830483
H -4.339034 0.854250 1.463297
H -3.581426 2.391840 1.974634
H -2.654474 0.877428 2.071850
H -0.782142 1.983008 0.622285
H -1.182986 2.665944 -0.983587
H -1.740139 3.482824 0.507203
H -0.222082 -0.382771 -1.822472
H 3.592635 -1.986481 0.042520
H 4.659668 -0.957332 1.045225
H 2.951727 -1.209349 1.530777
H 3.803090 1.192693 -1.997590
H 4.107787 -0.572021 -2.018532
H 5.177058 0.510091 -1.069707
H 2.520932 1.316441 1.567134
H 4.199249 1.690140 1.054998
H 2.818324 2.297132 0.091444
H -1.254683 -2.845128 -0.504140


