%chk=000022239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022239

0 1
 O    2.862000     -0.5800000      0.3986000    
 O    2.074400       2.056400      8.2699999E-02
 O   0.9498000      -2.583000      0.4711000    
 O   -2.994000       1.854400     -0.2331000    
 N   -4.371500      -1.208300     -2.2800000E-02
 C    1.539700     -0.2699000      0.2791000    
 C    1.147200       1.059100      0.1201000    
 C   0.5796000      -1.281100      0.3153000    
 C   -1.165500      0.3657000      3.3399999E-02
 C  -0.2055000       1.377000     -2.6000000E-03
 C  -0.7730000     -0.9633000      0.1924000    
 C   -2.575900      0.6968000     -9.2500001E-02
 C    3.711600     -0.2209000     -0.6886000    
 C    1.588600       3.387100     -8.2599998E-02
 C    1.211600      -3.328800     -0.7160000    
 C   -3.579100     -0.3611000     -5.4699998E-02
 H  -0.5602000       2.394100     -0.1277000    
 H   -1.491300      -1.777600      0.2266000    
 H    4.192600      0.7403000     -0.4868000    
 H    3.172100     -0.1852000      -1.641600    
 H    4.494600     -0.9807000     -0.7689000    
 H    1.085100       3.516800      -1.046700    
 H   0.9638000       3.697400      0.7618000    
 H    2.461200       4.048700     -9.0099998E-02
 H    2.033200      -2.879200      -1.282200    
 H   0.3131000      -3.385400      -1.338800    
 H    1.500700      -4.342800     -0.4266000    


%chk=000022239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022239

0 1
O 2.685503 -0.875646 -0.059503
O 2.051872 1.935449 -0.254620
O 0.628350 -2.737662 0.219012
O -3.137709 2.025478 0.087396
N -4.660071 -1.045846 0.434328
C 1.390128 -0.381152 -0.078142
C 1.005022 1.004858 -0.148996
C 0.362501 -1.372256 0.060066
C -1.352440 0.375529 0.071551
C -0.348254 1.368641 -0.081440
C -0.989642 -0.991002 0.140719
C -2.758599 0.814818 0.149333
C 3.865538 -0.101987 -0.506147
C 1.689643 3.358089 -0.275764
C 1.498443 -3.420079 -0.762309
C -3.782179 -0.244703 0.308733
H -0.670123 2.412731 -0.128752
H -1.738852 -1.780537 0.255370
H 4.095404 0.704552 0.205058
H 3.701645 0.323214 -1.509999
H 4.674572 -0.848383 -0.527775
H 1.059412 3.596262 -1.153269
H 1.163091 3.647652 0.653031
H 2.647163 3.894142 -0.346545
H 2.544823 -3.093086 -0.658352
H 1.140789 -3.233561 -1.793172
H 1.398868 -4.489013 -0.521012


