%chk=000100566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100566

0 1
 O   -3.122900      -1.301400       1.157500    
 O    5.723000     -0.7149000     -0.5684000    
 O    5.540600       1.411700     -3.7000000E-02
 N   -3.840700      0.2407000     -0.4090000    
 N    5.041300      0.2737000     -0.2066000    
 C   -5.247600      0.1479000     -9.0700001E-02
 C   -6.089400      0.3885000      -1.337100    
 C   -5.610600       1.127800       1.018200    
 C   -1.475200     -0.2655000     -0.2320000    
 C   -2.879700     -0.5046000      0.2531000    
 C   0.9318000     -0.2435000      0.4604000    
 C  -0.5076000     -0.4227000      0.6919000    
 C   -1.248900      5.7500001E-02  -1.681400    
 C    1.699900      -1.327200      5.9200000E-02
 C    1.501600       1.008600      0.6441000    
 C    3.650300      9.8300003E-02  1.8600000E-02
 C    3.066300      -1.155400     -0.1628000    
 C    2.867900       1.180300      0.4220000    
 H   -5.450800     -0.8678000      0.2695000    
 H   -3.560900      0.9310000      -1.098900    
 H   -7.156600      0.2846000      -1.115200    
 H   -5.921600       1.392000      -1.743900    
 H   -5.834700     -0.3319000      -2.122300    
 H   -5.026500      0.9297000       1.923500    
 H   -6.671500       1.049900       1.277800    
 H   -5.407700       2.161400      0.7160000    
 H  -0.7519000     -0.6736000       1.722200    
 H   -1.880000     -0.5723000      -2.317600    
 H   -1.486100       1.107100      -1.882100    
 H  -0.2151000     -0.1147000      -1.995300    
 H    1.256700      -2.308900     -8.5900001E-02
 H   0.9026000       1.859600      0.9580000    
 H    3.644300      -2.020900     -0.4765000    
 H    3.287900       2.171400      0.5734000    


%chk=000100566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100566

0 1
O -3.028742 0.145444 1.697698
O 5.741920 -0.663466 -1.206672
O 6.026636 0.385641 0.800404
N -3.944340 0.114786 -0.431753
N 5.281792 -0.123765 -0.125268
C -5.341974 0.089946 0.063348
C -6.245316 -0.577360 -0.991720
C -5.820479 1.513862 0.433626
C -1.486633 0.152509 -0.210324
C -2.864205 0.147209 0.432606
C 1.008108 -0.004297 0.411397
C -0.438126 0.058783 0.670295
C -1.367988 0.309481 -1.715251
C 1.586836 -0.607206 -0.747608
C 1.890990 0.521574 1.404313
C 3.814831 -0.085532 0.063010
C 2.980184 -0.650858 -0.926536
C 3.284845 0.497513 1.236436
H -5.328764 -0.517182 0.987642
H -3.795828 0.114952 -1.441663
H -7.283065 -0.633424 -0.620006
H -6.262189 0.007063 -1.932845
H -5.906853 -1.604022 -1.220058
H -5.145285 1.956600 1.184959
H -6.838606 1.476774 0.862595
H -5.843137 2.168553 -0.457575
H -0.739474 0.058432 1.729217
H -1.608181 -0.628708 -2.255265
H -2.053532 1.095341 -2.086018
H -0.351418 0.612254 -2.010826
H 0.943784 -1.089944 -1.488038
H 1.464089 0.964379 2.310895
H 3.433340 -1.119141 -1.804223
H 3.964978 0.910208 1.985908


