%chk=000011834.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011834

0 1
 O   -3.013100      0.2440000      -1.288100    
 O    1.630600     -0.1844000     -0.3976000    
 O    1.822600       3.559700       1.197500    
 N   -4.526400      -1.444100       1.356700    
 C   -5.285600     -0.4411000     -0.7873000    
 C   -4.848700      -1.713100     -4.0800001E-02
 C   -4.233800      0.6731000     -0.6874000    
 C   -5.576800     -0.7804000      -2.254400    
 C   -1.860700      0.7797000     -0.7998000    
 C   -4.068200      -2.664100       2.023000    
 C   -5.686800     -0.8888000       2.054800    
 C   0.5005000      0.5908000     -0.3345000    
 C   0.4954000       1.878300      0.1998000    
 C  -0.6788000      3.9400000E-02 -0.8358000    
 C   -1.863900       2.068600     -0.2644000    
 C  -0.6858000       2.622900      0.2374000    
 C    2.816200      0.3347000      9.9900000E-02
 C    1.753300       2.435800      0.7195000    
 C    2.940000       1.561100      0.6318000    
 C    3.969300     -0.5796000     -2.2399999E-02
 C    5.257300     -6.5800004E-02 -0.1940000    
 C    3.777900      -1.962400      3.2900002E-02
 C    6.346600     -0.9293000     -0.3098000    
 C    4.867300      -2.825900     -8.2900003E-02
 C    6.151600      -2.309200     -0.2542000    
 H   -6.227700     -6.2700003E-02 -0.3735000    
 H   -5.641700      -2.469600     -0.1189000    
 H   -3.966600      -2.134300     -0.5410000    
 H   -4.099200      0.9482000      0.3654000    
 H   -4.592500       1.558500      -1.226700    
 H   -5.894800      0.1121000      -2.803600    
 H   -4.696600      -1.193300      -2.758400    
 H   -6.381600      -1.520000      -2.326200    
 H   -3.179100      -3.064800       1.523300    
 H   -4.838700      -3.443600       2.035500    
 H   -3.774800      -2.451500       3.057100    
 H   -5.476100     -0.7998000       3.127600    
 H   -6.579400      -1.515200       1.943200    
 H   -5.922400      0.1284000       1.728700    
 H  -0.6796000     -0.9645000      -1.252900    
 H   -2.756400       2.687300     -0.2462000    
 H  -0.7056000       3.630000      0.6442000    
 H    3.865200       1.959800       1.031200    
 H    5.448500       1.001600     -0.2645000    
 H    2.789200      -2.392400      0.1740000    
 H    7.346200     -0.5278000     -0.4484000    
 H    4.716100      -3.900500     -3.7900001E-02
 H    6.999700      -2.981600     -0.3451000    


%chk=000011834-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011834

0 1
O -2.801628 -0.158624 -0.627372
O 1.946781 -0.171140 -0.350982
O 2.137693 3.752776 1.092621
N -5.560147 -1.253492 1.549609
C -5.194348 -0.547640 -0.849058
C -5.211307 -1.707683 0.181656
C -4.127342 0.487887 -0.466601
C -5.013525 -1.080433 -2.287616
C -1.663325 0.568886 -0.293038
C -5.001755 -2.122250 2.606834
C -7.008364 -1.029382 1.734827
C 0.755607 0.557675 -0.154409
C 0.775069 1.892735 0.333384
C -0.436903 -0.111757 -0.470014
C -1.681461 1.910553 0.195985
C -0.470065 2.549120 0.499853
C 3.183278 0.430413 -0.054000
C 2.063073 2.554909 0.652540
C 3.248093 1.721710 0.425218
C 4.318218 -0.482565 -0.314711
C 5.662318 -0.031702 -0.191156
C 4.082583 -1.833241 -0.694529
C 6.736971 -0.908701 -0.435170
C 5.161525 -2.707807 -0.938244
C 6.493440 -2.251881 -0.809224
H -6.164602 -0.010614 -0.793792
H -5.908071 -2.505390 -0.181318
H -4.198464 -2.149817 0.211286
H -4.265310 0.778872 0.592931
H -4.175756 1.378012 -1.126024
H -5.028044 -0.256293 -3.024509
H -4.049220 -1.607608 -2.390699
H -5.824980 -1.784304 -2.549082
H -3.906299 -2.193476 2.489669
H -5.421667 -3.159935 2.598941
H -5.211127 -1.681304 3.598428
H -7.192810 -0.592535 2.732649
H -7.609597 -1.970739 1.651730
H -7.388865 -0.317644 0.981646
H -0.424486 -1.137104 -0.846410
H -2.626826 2.439998 0.336877
H -0.447951 3.577024 0.876839
H 4.214959 2.170167 0.662349
H 5.874446 1.005406 0.087268
H 3.052559 -2.185172 -0.793821
H 7.765466 -0.544885 -0.337192
H 4.962930 -3.745317 -1.228304
H 7.331338 -2.931509 -0.999067


