%chk=000056715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056715

0 1
 O  -0.1327000       2.265300      0.6669000    
 O    4.959700      -1.360400     -0.3580000    
 O    4.790200       1.310600      0.3839000    
 N   -3.740000      0.2360000     -0.2819000    
 C   -1.325500      0.2142000      0.2126000    
 C   -2.541700       1.064200     -0.1490000    
 C   -1.110400     -0.8761000     -0.8362000    
 C   -4.013700     -0.4771000      0.9736000    
 C   -4.889500       1.056500     -0.6883000    
 C   -5.236000      -1.386100      0.8364000    
 C   -6.140500      0.1976000     -0.8799000    
 C   -6.460800     -0.6032000      0.3770000    
 C   8.6700000E-02  -1.743600     -0.4669000    
 C  -7.7900000E-02   1.081200      0.3464000    
 C    1.321400     -0.9122000     -0.2510000    
 C    1.244800      0.4326000      0.1419000    
 C    2.583500      -1.504000     -0.4044000    
 C    2.413500       1.176000      0.3487000    
 C    3.746500     -0.7624000     -0.1957000    
 C    3.661000      0.5764000      0.1775000    
 C    5.532500      -1.986200      0.7884000    
 C    5.328800       2.000800     -0.7419000    
 H   -1.433800     -0.2303000       1.209100    
 H   -2.344600       1.584900      -1.095900    
 H   -2.693100       1.844800      0.6091000    
 H  -0.9398000     -0.4203000      -1.821300    
 H   -1.983700      -1.530300     -0.9326000    
 H   -4.167800      0.2278000       1.801100    
 H   -3.198600      -1.147700       1.257700    
 H   -4.671100       1.556800      -1.639600    
 H   -5.092400       1.840400      5.3399999E-02
 H   -5.447700      -1.870700       1.796400    
 H   -5.021600      -2.185000      0.1151000    
 H   -5.988800     -0.4893000      -1.722200    
 H   -6.992400      0.8366000      -1.138100    
 H   -7.294700      -1.287200      0.1853000    
 H   -6.779500      7.9099998E-02   1.174500    
 H   0.2571000      -2.467500      -1.272800    
 H  -0.1235000      -2.307900      0.4497000    
 H    2.659900      -2.550300     -0.6927000    
 H    2.366400       2.220000      0.6487000    
 H    5.694600      -1.254700       1.586300    
 H    6.498700      -2.409400      0.5007000    
 H    4.887900      -2.795600       1.145500    
 H    6.227300       2.533900     -0.4191000    
 H    4.608000       2.729800      -1.125500    
 H    5.605500       1.294500      -1.530900    


%chk=000056715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056715

0 1
O -0.185973 2.124576 0.928794
O 5.023523 -1.434283 -0.515891
O 4.817614 1.257931 0.636635
N -3.859704 0.191492 -0.101740
C -1.354649 0.111450 0.150550
C -2.611630 0.995768 -0.023474
C -1.117430 -0.832085 -1.052179
C -4.304143 -0.290198 1.232433
C -4.952332 0.926180 -0.792742
C -5.525578 -1.224294 1.114052
C -6.194545 0.031573 -0.978983
C -6.686103 -0.514318 0.381151
C 0.081429 -1.764096 -0.786866
C -0.103699 0.952351 0.448308
C 1.331165 -0.979808 -0.411669
C 1.224195 0.319595 0.173139
C 2.617172 -1.526649 -0.615157
C 2.400292 1.043270 0.506624
C 3.784484 -0.820733 -0.254381
C 3.672649 0.499616 0.286228
C 5.940248 -1.571137 0.643164
C 5.608938 1.722313 -0.526862
H -1.494885 -0.533612 1.049087
H -2.508855 1.560782 -0.970275
H -2.643894 1.750244 0.796344
H -0.927605 -0.225978 -1.961359
H -2.042337 -1.409423 -1.227616
H -4.564585 0.575493 1.898964
H -3.468602 -0.828906 1.716613
H -4.574332 1.261198 -1.776882
H -5.247440 1.845383 -0.218816
H -5.840396 -1.546541 2.125426
H -5.230509 -2.129955 0.549093
H -5.926652 -0.814785 -1.641201
H -6.993223 0.611744 -1.480300
H -7.537628 -1.206267 0.237897
H -7.053480 0.327169 1.004742
H 0.288169 -2.401765 -1.666464
H -0.178988 -2.455066 0.043680
H 2.740074 -2.524378 -1.050745
H 2.303144 2.046139 0.934462
H 6.119493 -0.595609 1.126735
H 6.872248 -1.981081 0.226228
H 5.510143 -2.280359 1.374940
H 6.463330 2.270565 -0.101767
H 5.000613 2.400964 -1.154031
H 5.962469 0.868032 -1.133889


