%chk=000041230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041230

0 1
 O    1.039300       1.397200       1.315300    
 O   -3.853800       1.305500     -0.2476000    
 O   -6.086200      0.8057000     -0.5879000    
 N   -4.539500     -0.8867000     -0.1708000    
 C   0.8753000      0.1237000      0.6702000    
 C    1.670200      0.1653000     -0.6530000    
 C  -0.5626000     -0.2129000      0.4525000    
 C    3.163500      7.5599998E-02 -0.4421000    
 C   -1.482200      0.8114000      0.2037000    
 C   -2.796900      0.4462000      1.0400000E-02
 C  -0.9748000      -1.560600      0.5012000    
 C   -3.189500     -0.8741000      5.9999999E-02
 C   -2.313300      -1.907500      0.3021000    
 C    3.895800       1.239400     -0.2728000    
 C    3.772200      -1.168800     -0.4225000    
 C   -4.945400      0.4250000     -0.3568000    
 C    5.274600       1.156400     -7.8400001E-02
 C    5.150900      -1.251800     -0.2278000    
 C    5.902200     -8.9100003E-02 -5.5700000E-02
 H    1.305700     -0.6190000       1.354600    
 H    1.439500       1.085900      -1.206600    
 H    1.365100     -0.6611000      -1.309200    
 H   -1.187700       1.853500      0.1527000    
 H  -0.2494000      -2.347900      0.6929000    
 H   -2.636600      -2.940800      0.3374000    
 H   -5.124800      -1.712200     -0.1985000    
 H    3.417500       2.214400     -0.2905000    
 H    3.195100      -2.079800     -0.5530000    
 H    1.949600       1.441800       1.653200    
 H    5.859700       2.061700      5.5199999E-02
 H    5.639500      -2.221500     -0.2096000    
 H    6.975700     -0.1537000      9.5899999E-02


%chk=000041230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041230

0 1
O 1.135471 1.068147 1.350512
O -3.813179 1.474793 0.102558
O -6.152862 1.298940 -0.293617
N -4.692960 -0.600329 -0.226651
C 0.926091 -0.217667 0.677291
C 1.705819 -0.262538 -0.682201
C -0.571852 -0.390970 0.467040
C 3.200790 -0.075839 -0.482033
C -1.420918 0.746657 0.428473
C -2.773518 0.513226 0.182808
C -1.102661 -1.693395 0.270840
C -3.309793 -0.783620 -0.020843
C -2.479721 -1.915220 0.022565
C 3.789499 1.214962 -0.561218
C 4.031054 -1.179498 -0.150243
C -5.048236 0.755316 -0.162274
C 5.170961 1.397116 -0.316076
C 5.410066 -1.000789 0.095458
C 5.984703 0.290143 0.015774
H 1.305257 -1.045176 1.317186
H 1.291621 0.532388 -1.329473
H 1.493966 -1.233052 -1.168362
H -1.017472 1.744282 0.611138
H -0.430970 -2.558644 0.323732
H -2.871096 -2.927006 -0.119650
H -5.386999 -1.323398 -0.401039
H 3.167342 2.073084 -0.843877
H 3.594407 -2.184770 -0.094335
H 2.111702 1.240444 1.401908
H 5.609843 2.398566 -0.388663
H 6.037287 -1.864266 0.344274
H 7.055058 0.429314 0.203496


