%chk=000054126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054126

0 1
 O   0.7009000      -1.407500      0.8651000    
 O   -1.724300      -3.048800      -1.173200    
 O   -3.731600      -2.097400     -0.5781000    
 N    3.847800      0.1341000     -0.2520000    
 C    2.863000     -0.4049000      0.6739000    
 C    1.625000     -0.8752000     -7.2899997E-02
 C    3.291300       1.263300      -1.001300    
 C    5.057800      0.5488000      0.4620000    
 C  -0.4423000      -1.828700      0.2532000    
 C   -1.686900      -1.407300      0.4574000    
 C   -2.244800     -0.3862000       1.372000    
 C  -0.3593000      -2.879000     -0.7720000    
 C   -2.521500      -2.193000     -0.4634000    
 C    4.287400       1.790500      -2.020000    
 C    5.654800     -0.6063000       1.247900    
 C   -2.344900      0.9830000      0.7420000    
 C   -1.276200       1.858100      0.8480000    
 C   -3.503400       1.337600      7.0200004E-02
 C   -1.368500       3.122500      0.2662000    
 C   -3.595800       2.601900     -0.5116000    
 C   -2.528400       3.494400     -0.4136000    
 H    3.240200      -1.282300       1.211000    
 H    2.577000      0.3267000       1.441800    
 H    1.929700      -1.636600     -0.8007000    
 H    1.113900     -5.7300001E-02 -0.5890000    
 H    2.432200      0.9580000      -1.603800    
 H    2.964400       2.075900     -0.3406000    
 H    5.834900      0.8586000     -0.2442000    
 H    4.866000       1.392500       1.136900    
 H   -1.624200     -0.3198000       2.275900    
 H   -3.230500     -0.7003000       1.739300    
 H   1.5900001E-02  -3.825400     -0.3726000    
 H   0.2100000      -2.594200      -1.659700    
 H    5.091200       2.371600      -1.557700    
 H    4.727900      0.9824000      -2.614300    
 H    3.777700       2.466100      -2.716600    
 H    5.091300     -0.8290000       2.159300    
 H    5.731000      -1.515800      0.6419000    
 H    6.669600     -0.3442000       1.568300    
 H  -0.3678000       1.578000       1.373700    
 H   -4.341800      0.6520000     -1.0100000E-02
 H  -0.5369000       3.816900      0.3417000    
 H   -4.499000       2.891700      -1.040500    
 H   -2.600200       4.478800     -0.8667000    


%chk=000054126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054126

0 1
O 0.642131 -0.483665 0.420072
O -1.665678 -2.860395 -1.231206
O -3.704909 -2.489020 -0.127069
N 4.234814 0.310684 -0.251976
C 2.925581 0.339755 0.442601
C 1.967778 -0.641325 -0.244374
C 4.323906 1.305743 -1.357206
C 5.402848 0.335789 0.669017
C -0.402659 -1.264351 -0.019322
C -1.674309 -1.220315 0.487574
C -2.233493 -0.329737 1.572796
C -0.307869 -2.296792 -1.134546
C -2.500904 -2.197510 -0.245641
C 5.315347 0.894093 -2.461847
C 5.609289 -0.997804 1.411145
C -2.810326 0.977015 1.018107
C -2.099966 2.196059 1.152619
C -4.059306 0.981446 0.343383
C -2.624285 3.398885 0.625063
C -4.583589 2.182203 -0.184818
C -3.868580 3.395510 -0.046171
H 3.048477 0.034368 1.496281
H 2.465223 1.353827 0.452484
H 2.332182 -1.678739 -0.125288
H 1.867905 -0.406647 -1.321928
H 3.316811 1.401428 -1.805821
H 4.589292 2.320229 -0.967064
H 6.301712 0.541541 0.060831
H 5.321389 1.172253 1.407859
H -1.435684 -0.103751 2.302514
H -3.027850 -0.890353 2.100146
H 0.396401 -3.118835 -0.906960
H -0.044467 -1.851353 -2.112336
H 6.349872 0.817051 -2.081756
H 5.033613 -0.087931 -2.880072
H 5.315281 1.641259 -3.277001
H 4.743074 -1.255162 2.048180
H 5.757189 -1.818013 0.687321
H 6.497355 -0.940028 2.067493
H -1.133603 2.201238 1.671912
H -4.613114 0.041424 0.232739
H -2.066211 4.335372 0.740828
H -5.549941 2.171847 -0.701895
H -4.278126 4.326907 -0.453567


