%chk=000058685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058685

0 1
 O   -4.199500     -0.1262000     -0.5933000    
 O   -1.783800      -3.930800      0.3081000    
 N   0.5207000      0.1202000      0.4203000    
 N    3.879100      -1.374200     -0.1908000    
 N   -1.955000       1.327900     -0.2427000    
 N  -0.6532000      -1.956400      0.3642000    
 N   -2.994200      -2.065100     -0.1399000    
 C    1.814600     -0.4683000      0.7623000    
 C    2.573900     -0.8112000     -0.5130000    
 C   0.4471000       1.522100      0.2665000    
 C  -0.6152000     -0.6618000      0.2466000    
 C  -0.7960000       2.099600     -6.3600004E-02
 C   -1.896700      4.3200001E-02 -0.1039000    
 C    1.550700       2.381400      0.4247000    
 C  -0.9104000       3.488800     -0.2256000    
 C    4.629400      -1.670100      -1.412800    
 C    3.733100      -2.584500      0.6202000    
 C   -3.168800     -0.7122000     -0.3095000    
 C    1.426300       3.763600      0.2610000    
 C   0.1953000       4.317900     -6.4099997E-02
 C   -1.797300      -2.703900      0.1854000    
 H    2.401600      0.1499000       1.450600    
 H    1.606900      -1.374400       1.342900    
 H    1.983900      -1.503100      -1.129600    
 H    2.710100      9.8999999E-02  -1.110000    
 H    2.544600       2.014600      0.6603000    
 H   -1.870800       3.931000     -0.4807000    
 H    4.127400      -2.420000      -2.034900    
 H    5.632700      -2.037500      -1.170000    
 H    4.766400     -0.7615000      -2.010000    
 H    4.699900      -3.092700      0.7231000    
 H    3.028300      -3.300900      0.1825000    
 H    3.428800      -2.355300       1.646000    
 H    2.294900       4.404000      0.3845000    
 H   9.6000001E-02   5.391300     -0.1927000    
 H   -3.811500      -2.656300     -0.2621000    


%chk=000058685-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058685

0 1
O -4.300636 -0.315349 -0.366987
O -1.580845 -3.974833 0.578358
N 0.487627 0.238232 0.450173
N 3.747469 -1.632155 -0.101113
N -2.021993 1.420554 -0.206918
N -0.507042 -1.890132 0.506804
N -2.887330 -2.108708 0.114131
C 1.773036 -0.431288 0.785477
C 2.566954 -0.837074 -0.486750
C 0.419354 1.620194 0.211971
C -0.652488 -0.576929 0.321397
C -0.867034 2.193552 -0.110244
C -1.912812 0.110933 -0.001710
C 1.557220 2.471089 0.278212
C -0.980592 3.593548 -0.343681
C 4.909800 -1.452893 -0.993921
C 3.434815 -3.060689 0.132015
C -3.146748 -0.744524 -0.108234
C 1.413296 3.848584 0.042859
C 0.146672 4.420208 -0.267029
C -1.627939 -2.727377 0.414575
H 2.381022 0.226673 1.425058
H 1.513098 -1.338772 1.349911
H 1.881343 -1.391278 -1.170865
H 2.904012 0.071696 -1.019598
H 2.546151 2.067306 0.506671
H -1.975982 3.979319 -0.581765
H 4.743383 -1.846089 -2.027881
H 5.782023 -1.981678 -0.569348
H 5.167364 -0.381334 -1.069778
H 4.296593 -3.554083 0.615232
H 3.200303 -3.608554 -0.813258
H 2.562072 -3.163450 0.797839
H 2.298269 4.491626 0.098127
H 0.059866 5.495884 -0.445916
H -3.691002 -2.744109 0.056185


