%chk=000055367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055367

0 1
 O   -3.252600      0.2742000       1.036600    
 O    1.464900      0.4469000     -0.2121000    
 O   -3.141600       2.506600       1.330000    
 O   0.4609000      0.2086000      -2.284500    
 N    6.081000     -0.8450000      0.5388000    
 C   -2.868000     -0.8807000      0.2574000    
 C   -3.462600      -2.122300      0.9258000    
 C   -3.597600     -0.8685000      -1.091700    
 C   -4.940800      -2.092300      0.5423000    
 C   -5.028000      -1.284500     -0.7518000    
 C   -1.351400     -0.9422000      0.1707000    
 C  -0.8263000      0.3781000     -0.3014000    
 C   -1.463200       1.533800     -4.2199999E-02
 C   -2.681200       1.489000      0.8213000    
 C   0.4242000      0.3315000      -1.072900    
 C   -1.062400       2.908500     -0.4963000    
 C    2.761600      0.4193000     -0.8176000    
 C    3.754000     -0.1780000      0.1709000    
 C    5.158100     -0.2506000     -0.4204000    
 C    6.161000     -2.8500000E-02   1.751400    
 C    7.410100      -1.003800     -5.4400001E-02
 H   -3.344100      -2.115800       2.014300    
 H   -3.002600      -3.036600      0.5313000    
 H   -3.158000      -1.603400      -1.776900    
 H   -3.593000      0.1082000      -1.585300    
 H   -5.530400      -1.603200       1.326300    
 H   -5.338800      -3.104500      0.4179000    
 H   -5.476400      -1.864600      -1.564600    
 H   -5.656400     -0.4000000     -0.5954000    
 H   -1.042000      -1.751600     -0.5016000    
 H  -0.9162000      -1.150100       1.156600    
 H   -1.882900       3.381100      -1.046600    
 H  -0.1923000       2.893500      -1.159300    
 H  -0.8105000       3.537800      0.3637000    
 H    2.761500     -0.1792000      -1.736400    
 H    3.042800       1.448300      -1.067100    
 H    3.409500      -1.175400      0.4732000    
 H    3.712600      0.4450000       1.071000    
 H    5.489600      0.7501000     -0.7276000    
 H    5.120700     -0.8702000      -1.325400    
 H    6.965500     -0.3923000       2.402600    
 H    6.363100       1.026700       1.534300    
 H    5.254100     -0.1060000       2.358400    
 H    7.360800      -1.640300     -0.9450000    
 H    7.852300     -4.2700000E-02 -0.3406000    
 H    8.088800      -1.501700      0.6472000    


%chk=000055367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055367

0 1
O -3.566987 -0.001434 1.253019
O 1.510755 -0.445376 0.290379
O -2.692599 1.632787 2.574111
O 0.529976 -2.348925 -0.612844
N 6.371406 0.489528 0.258347
C -3.373370 -0.950592 0.074287
C -4.641960 -1.848945 0.081623
C -3.478706 -0.112170 -1.226266
C -5.568387 -1.330658 -1.062958
C -5.001654 0.068605 -1.423200
C -2.058548 -1.701150 0.292150
C -0.892979 -0.749741 0.526154
C -1.095823 0.446178 1.181093
C -2.484110 0.748409 1.709671
C 0.414357 -1.261189 0.015518
C -0.060709 1.499687 1.506832
C 2.829803 -0.956537 -0.196216
C 3.885835 0.067693 0.218804
C 5.283462 -0.353518 -0.288417
C 6.314837 1.891807 -0.203391
C 7.700879 -0.110230 0.017184
H -5.123369 -1.759208 1.070216
H -4.365996 -2.909537 -0.059478
H -3.057274 -0.705131 -2.062646
H -2.920375 0.837799 -1.171612
H -6.628059 -1.291932 -0.757434
H -5.501292 -1.999328 -1.942214
H -5.265111 0.390821 -2.445690
H -5.379815 0.828264 -0.714772
H -1.837769 -2.345584 -0.575591
H -2.159955 -2.379511 1.164333
H -0.537498 2.332212 2.045578
H 0.427953 1.873432 0.590250
H 0.746704 1.081968 2.132447
H 3.003834 -1.950665 0.255655
H 2.769960 -1.084524 -1.293397
H 3.919731 0.152613 1.319983
H 3.601332 1.056403 -0.185359
H 5.284972 -0.357436 -1.412480
H 5.481217 -1.394998 0.034184
H 7.142733 2.460541 0.255473
H 6.401164 1.991516 -1.316537
H 5.370335 2.365551 0.112585
H 7.735608 -1.125890 0.450269
H 7.966100 -0.187024 -1.068617
H 8.477188 0.498618 0.513878


