%chk=000054699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054699

0 1
 O   -5.096400      0.4250000     -0.1381000    
 O   0.7671000       2.111400      -2.023600    
 O    2.469600      -3.762800       2.182700    
 O    3.569500      -2.295800      0.8444000    
 N   -2.074800      0.1396000     -0.1931000    
 N   0.2215000      0.1214000     -0.9196000    
 N   -1.571600       2.340800      0.3331000    
 N   -2.462200       1.052100       1.975100    
 C   -3.083900     -0.9092000     -0.1469000    
 C   -1.180400      0.1560000      -1.349100    
 C   -4.344000     -0.5043000     -0.9153000    
 C   -2.058100       1.131200      0.7298000    
 C   0.6150000     -0.9947000     -5.8200002E-02
 C   -5.234400      -1.695900      -1.284800    
 C   -1.615900       3.278600       1.413200    
 C    1.167200      -2.183700     -0.8431000    
 C   -2.220600       2.418400       2.530200    
 C    1.075700       1.164200      -1.301300    
 C    1.548600      -3.384000      2.7100001E-02
 C   -5.714800      -2.455600     -5.4400001E-02
 C    2.455000       1.158800     -0.7899000    
 C    2.644600      -3.075600       1.023400    
 C    3.462600      0.5148000      -1.508200    
 C    2.755500       1.797900      0.4131000    
 C    4.770600      0.5097000      -1.023500    
 C    4.063500       1.792800      0.8976000    
 C    5.071000       1.148700      0.1793000    
 H   -2.664400      -1.829500     -0.5717000    
 H   -3.330300      -1.139500      0.8968000    
 H   -1.386800       1.018500      -1.991700    
 H   -1.331600     -0.7295000      -1.978300    
 H   -4.061600      8.6000003E-03  -1.842800    
 H    1.364100     -0.6446000      0.6570000    
 H  -0.2360000      -1.321400      0.5474000    
 H   -6.115300      -1.335600      -1.829500    
 H   -4.692700      -2.378800      -1.948800    
 H  -0.6149000       3.632700       1.676000    
 H   -2.253300       4.135000       1.175400    
 H    2.037200      -1.877200      -1.431900    
 H   0.4138000      -2.513100      -1.569500    
 H   -1.294600       2.605700     -0.6030000    
 H   -1.538700       2.349300       3.384200    
 H   -3.167800       2.841100       2.881200    
 H   0.6587000      -3.722900      0.5705000    
 H    1.893900      -4.211100     -0.6022000    
 H   -4.883100      -2.920800      0.4832000    
 H   -6.255000      -1.802700      0.6379000    
 H   -6.397300      -3.256600     -0.3572000    
 H   -5.872300      0.6870000     -0.6625000    
 H    3.241900      2.0199999E-02  -2.450400    
 H    1.977400       2.301700      0.9809000    
 H    5.555100      9.2000002E-03  -1.583300    
 H    4.297500       2.289800       1.834500    
 H    6.089400       1.144700      0.5568000    
 H    3.170900      -3.558600       2.837600    


%chk=000054699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054699

0 1
O -4.148695 -0.133933 -1.776963
O 0.750066 2.623021 -0.711576
O 2.682674 -4.724035 0.821698
O 3.294308 -3.101174 -0.719613
N -2.055718 0.431802 0.055076
N 0.358620 0.328721 -0.584950
N -1.759454 2.771291 0.653439
N -3.292245 1.485814 1.822746
C -2.904049 -0.767313 0.202620
C -1.070746 0.547417 -1.007058
C -3.533317 -1.290252 -1.104931
C -2.382595 1.537517 0.857273
C 0.652958 -0.979946 0.043273
C -4.553878 -2.426561 -0.839317
C -2.205000 3.696090 1.717288
C 0.522736 -2.180885 -0.925781
C -3.381563 2.875173 2.373214
C 1.207868 1.435115 -0.542883
C 0.894953 -3.514196 -0.245131
C -5.772823 -2.012605 0.014438
C 2.686308 1.255591 -0.320004
C 2.394280 -3.712100 -0.101230
C 3.439251 0.184915 -0.868144
C 3.360101 2.282640 0.393026
C 4.838074 0.130592 -0.683162
C 4.755466 2.222544 0.584552
C 5.499185 1.143913 0.048014
H -2.343511 -1.610369 0.662645
H -3.692708 -0.463686 0.911842
H -1.104137 1.543114 -1.475425
H -1.303474 -0.198805 -1.782349
H -2.740788 -1.714423 -1.769796
H 1.666997 -0.949362 0.471082
H -0.054097 -1.113685 0.887809
H -4.903986 -2.808409 -1.821891
H -4.022760 -3.272521 -0.356527
H -1.388180 3.901791 2.440503
H -2.546711 4.660697 1.299940
H 1.169781 -2.022692 -1.807683
H -0.517822 -2.257419 -1.291506
H -0.888364 2.906391 0.114927
H -3.308208 2.857941 3.475954
H -4.363859 3.315551 2.110385
H 0.429013 -3.612916 0.752911
H 0.518800 -4.370460 -0.839505
H -5.493047 -1.812402 1.063129
H -6.234743 -1.092305 -0.385123
H -6.535043 -2.812480 0.016157
H -4.664508 -0.457608 -2.559232
H 2.954602 -0.603963 -1.450005
H 2.774833 3.125789 0.773399
H 5.402384 -0.704351 -1.110848
H 5.263810 3.016175 1.143048
H 6.584567 1.098646 0.192545
H 3.668496 -4.855999 0.874199


