%chk=000074751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074751

0 1
 O    10.06400       1.703100     -2.1100000E-02
 N    8.027800      0.5981000      0.3750000    
 C   -1.058400     -0.5877000      0.2702000    
 C   -2.259200      0.3083000     -4.3499999E-02
 C   0.2883000      6.3299999E-02 -6.2600002E-02
 C   -3.608500     -0.3690000      0.2207000    
 C    1.487100     -0.8573000      0.1765000    
 C   -4.850500      0.4689000     -9.8800004E-02
 C    2.800000     -0.1634000     -0.1939000    
 C   -6.195800     -0.2359000      0.1027000    
 C    4.003300      -1.069100      7.4500002E-02
 C   -7.439300      0.6199000     -0.1567000    
 C    5.313200     -0.3877000     -0.3267000    
 C   -8.751700     -0.1095000      0.1376000    
 C    6.518900      -1.284200     -2.9200001E-02
 C   -9.959200      0.7563000     -0.2245000    
 C    7.841400     -0.6259000     -0.4059000    
 C   -11.26660      2.3000000E-02  2.9899999E-02
 C    9.045400       1.148800      0.1760000    
 H   -1.152000      -1.521800     -0.2976000    
 H   -1.076000     -0.8598000       1.332600    
 H   -2.216500      0.6133000      -1.096300    
 H   -2.193500       1.225100      0.5547000    
 H   0.2819000      0.3766000      -1.114100    
 H   0.4026000      0.9743000      0.5379000    
 H   -3.655200      -1.294600     -0.3672000    
 H   -3.651900     -0.6710000       1.274800    
 H    1.511100      -1.157600       1.230900    
 H    1.372700      -1.771400     -0.4184000    
 H   -4.788400      0.8082000      -1.140300    
 H   -4.829100       1.373100      0.5222000    
 H    2.779500      0.1173000      -1.254100    
 H    2.903000      0.7631000      0.3841000    
 H   -6.238200     -0.6096000       1.133700    
 H   -6.231200      -1.119200     -0.5472000    
 H    4.034300      -1.330000       1.139400    
 H    3.891600      -2.005800     -0.4850000    
 H   -7.386000       1.526400      0.4587000    
 H   -7.428100      0.9474000      -1.203600    
 H    5.290800     -0.1456000      -1.396100    
 H    5.403900      0.5596000      0.2176000    
 H   -8.792300     -0.3803000       1.199400    
 H   -8.785700      -1.043700     -0.4361000    
 H    6.419800      -2.226400     -0.5812000    
 H    6.529800      -1.535500       1.038800    
 H   -9.943300       1.681300      0.3636000    
 H   -9.909700       1.042700      -1.281600    
 H    8.655000      -1.336800     -0.2084000    
 H    7.845100     -0.4036000      -1.481600    
 H   -11.32760     -0.8902000     -0.5707000    
 H   -11.36290     -0.2521000       1.085000    
 H   -12.11630      0.6605000     -0.2340000    


%chk=000074751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074751

0 1
O 9.629323 2.360281 0.854532
N 8.252781 0.449744 0.231430
C -1.065105 -0.573888 0.212140
C -2.294487 0.301312 -0.120395
C 0.280616 0.072537 -0.186756
C -3.637626 -0.380646 0.225227
C 1.502857 -0.811052 0.150036
C -4.873607 0.487187 -0.101831
C 2.850068 -0.192484 -0.285537
C -6.213341 -0.223172 0.196852
C 4.065670 -1.086301 0.048479
C -7.453956 0.639943 -0.125695
C 5.413503 -0.474437 -0.393140
C -8.791238 -0.087624 0.140713
C 6.618387 -1.382764 -0.069618
C -10.033995 0.774556 -0.178055
C 7.975308 -0.779288 -0.489063
C -11.364211 0.032163 0.074926
C 8.990416 1.379908 0.498094
H -1.164933 -1.552542 -0.303210
H -1.057220 -0.796565 1.299835
H -2.281949 0.554868 -1.201348
H -2.219290 1.265159 0.425334
H 0.273242 0.287977 -1.275957
H 0.383945 1.053440 0.322831
H -3.709737 -1.341007 -0.327583
H -3.649056 -0.643075 1.304025
H 1.524542 -1.004667 1.243061
H 1.381379 -1.801458 -0.337508
H -4.844973 0.776125 -1.173580
H -4.822352 1.433730 0.476060
H 2.826996 0.001906 -1.378390
H 2.976516 0.796207 0.202997
H -6.240983 -0.519298 1.266610
H -6.262729 -1.166474 -0.386818
H 4.090530 -1.275474 1.142126
H 3.933076 -2.077269 -0.435192
H -7.418270 1.573370 0.474454
H -7.414855 0.954020 -1.190040
H 5.386753 -0.273570 -1.484952
H 5.557154 0.505634 0.103379
H -8.831007 -0.406764 1.203494
H -8.828218 -1.018366 -0.463683
H 6.507981 -2.354562 -0.592111
H 6.642873 -1.598925 1.016210
H -10.002693 1.699132 0.434135
H -9.987733 1.102122 -1.236931
H 8.788284 -1.507407 -0.295737
H 7.967222 -0.568826 -1.578101
H -11.434809 -0.877303 -0.551379
H -11.446983 -0.282928 1.132413
H -12.236668 0.670716 -0.156680


