%chk=000131916.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131916

0 1
 O  -0.9200000       1.739000     -0.1244000    
 O   -1.861700      -1.335500      -1.368100    
 O   -2.822200       2.791300     -0.8534000    
 O    2.805600      -3.308500     -0.5972000    
 O    2.243800      -1.864300       1.101000    
 N   -2.928300      0.6631000      4.8099998E-02
 N  -0.3971000      -1.825200      0.3736000    
 C   -2.282400     -0.4092000      0.7911000    
 C   -3.434200      -1.201200       1.399800    
 C   -4.577900     -0.9856000      0.4100000    
 C   -4.366200      0.4438000     -6.4199999E-02
 C   -1.505700      -1.224800     -0.1978000    
 C   -2.268100       1.815000     -0.3531000    
 C   0.5046000      -2.682500     -0.3615000    
 C   3.9600000E-02  -4.128400     -0.2847000    
 C  -0.1537000       2.886800     -0.5064000    
 C    1.936400      -2.559700      0.1380000    
 C    1.291700       2.638200     -0.1893000    
 C    1.803500       2.995100       1.058300    
 C    2.123700       2.049800      -1.141900    
 C    3.147100       2.763900       1.353300    
 C    3.467300       1.818600     -0.8468000    
 C    4.175500      -3.255500     -0.1851000    
 C    3.978900       2.175700      0.4008000    
 H   -1.622100      6.2000002E-03   1.560300    
 H   -3.210800      -2.262100       1.548100    
 H   -3.710300     -0.7691000       2.369500    
 H   -5.563300      -1.137100      0.8592000    
 H   -4.479500      -1.681000     -0.4319000    
 H   -4.865000       1.165500      0.5918000    
 H   -4.697300      0.6155000      -1.092400    
 H  -0.2133000      -1.685600       1.363100    
 H   0.5003000      -2.351500      -1.407100    
 H   0.6734000      -4.787300     -0.8873000    
 H  -0.9893000      -4.230800     -0.6467000    
 H   6.6000000E-02  -4.496500      0.7474000    
 H  -0.2785000       3.074400      -1.580100    
 H  -0.5136000       3.769500      3.6400001E-02
 H    1.164700       3.451800       1.809700    
 H    1.736100       1.764300      -2.116200    
 H    3.545200       3.041000       2.325000    
 H    4.114800       1.358800      -1.587700    
 H    4.553500      -2.231200     -0.2585000    
 H    4.278400      -3.634100      0.8362000    
 H    4.757100      -3.893000     -0.8562000    
 H    5.024700       1.994600      0.6308000    


%chk=000131916-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131916

0 1
O -0.787328 1.158290 0.915983
O -2.179508 -2.990704 -0.321196
O -1.920653 2.484049 -0.681926
O 2.941861 -2.844358 -0.035109
O 2.142654 -1.203767 1.412608
N -2.675407 0.344118 -0.129594
N -0.458412 -1.800510 0.695240
C -2.725247 -0.833054 0.785189
C -4.206664 -1.266866 0.696834
C -4.608428 -0.903824 -0.757050
C -3.855937 0.418756 -1.036635
C -1.770626 -1.973278 0.325102
C -1.817050 1.407128 -0.031571
C 0.573466 -2.784972 0.337908
C 0.413626 -4.118597 1.123549
C 0.140283 2.324294 1.158795
C 1.936798 -2.168977 0.639481
C 1.321792 2.363735 0.211803
C 2.580014 1.854145 0.621667
C 1.199070 2.951195 -1.075970
C 3.699247 1.931761 -0.237542
C 2.316443 3.022010 -1.936214
C 4.323766 -2.352803 0.200012
C 3.570913 2.516980 -1.518439
H -2.429467 -0.513315 1.800540
H -4.324800 -2.342090 0.900973
H -4.803661 -0.688559 1.425748
H -5.697746 -0.786234 -0.880737
H -4.257694 -1.699086 -1.435353
H -4.458548 1.311572 -0.783186
H -3.529801 0.519582 -2.085894
H -0.163015 -0.907136 1.113645
H 0.509796 -3.015758 -0.741982
H 1.187893 -4.839044 0.809636
H -0.580011 -4.538495 0.900874
H 0.499536 -3.941913 2.209921
H -0.468147 3.241459 1.079841
H 0.461733 2.161173 2.199579
H 2.681547 1.386599 1.607035
H 0.222284 3.333090 -1.391718
H 4.670334 1.547287 0.096498
H 2.211793 3.476774 -2.927746
H 4.400404 -1.294822 -0.101495
H 4.587414 -2.452607 1.266274
H 4.957256 -2.993703 -0.428107
H 4.439628 2.582678 -2.183771


