%chk=000098117.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098117

0 1
 O   -7.233800     -0.2761000      0.8097000    
 O    4.218300       3.454900      0.5718000    
 O    5.043000      -2.875200      0.9317000    
 N  -0.8173000     -0.4630000     -0.3658000    
 N   -3.696200     -0.2036000     -0.3058000    
 N    2.830900      2.6799999E-02  0.2497000    
 C   -1.493100      0.2865000      0.7003000    
 C   -1.604800     -0.4163000      -1.603900    
 C   -2.909400     -0.2511000      0.9327000    
 C   -3.020600     -0.9548000      -1.370800    
 C   0.5316000      5.3500000E-02 -0.5887000    
 C    1.480900     -0.4746000      0.4826000    
 C   -5.045800     -0.7182000     -8.3400004E-02
 C    2.946200       1.418100      0.6896000    
 C    3.816000     -0.8076000      0.9394000    
 C   -5.947600      0.3083000      0.6065000    
 C    4.162200       2.117300      7.6800004E-02
 C    4.096400      -2.110100      0.1861000    
 C   -6.142600       1.578500     -0.2117000    
 C    4.106600       2.190700      -1.443700    
 C    4.678900      -1.883900      -1.203300    
 H  -0.9508000      0.1974000       1.647400    
 H   -1.545400       1.356400      0.4558000    
 H   -1.127900      -1.035900      -2.373200    
 H   -1.657800      0.6090000      -1.995100    
 H   -2.851800      -1.276400       1.323000    
 H   -3.372300      0.3669000       1.709500    
 H   -3.580400     -0.8568000      -2.308900    
 H   -2.975200      -2.024800      -1.126100    
 H   0.5160000       1.146700     -0.6581000    
 H   0.9077000     -0.3068000      -1.556800    
 H    1.152300     -0.2129000       1.495700    
 H    1.446800      -1.569000      0.4283000    
 H   -5.519700     -0.9693000      -1.043100    
 H   -5.037600      -1.660500      0.4814000    
 H    2.067400       2.013900      0.4170000    
 H    2.992500       1.485900       1.785900    
 H    4.780600     -0.3005000       1.056500    
 H    3.499900      -1.030900       1.968300    
 H   -5.559300      0.5643000       1.597400    
 H    5.097000       1.638200      0.3819000    
 H    3.194600      -2.724700      0.1064000    
 H   -5.200400       2.113100     -0.3637000    
 H   -6.841300       2.255800      0.2919000    
 H   -6.579500       1.350600      -1.190300    
 H    3.206400       2.719300      -1.776500    
 H    4.118500       1.197800      -1.901400    
 H    4.961300       2.755100      -1.832500    
 H    5.604300      -1.299700      -1.149700    
 H    3.973300      -1.365600      -1.858900    
 H    4.939200      -2.839600      -1.671700    
 H   -7.780100      0.3711000       1.287600    
 H    5.016500       3.872600      0.2056000    
 H    5.177300      -3.716800      0.4635000    


%chk=000098117-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098117

0 1
O -7.308409 -0.192440 0.817203
O 4.488420 3.324107 0.676458
O 5.040924 -3.102214 0.831275
N -0.822881 -0.461357 -0.250546
N -3.725383 -0.239621 -0.230549
N 2.919653 -0.053536 0.438194
C -1.530203 0.350865 0.771907
C -1.612269 -0.483392 -1.508003
C -2.937692 -0.212027 1.027914
C -3.017642 -1.051554 -1.252354
C 0.579255 -0.029951 -0.469869
C 1.522065 -0.510767 0.654939
C -5.129217 -0.670006 -0.024909
C 3.153225 1.352503 0.855290
C 3.929863 -0.996130 0.982529
C -6.025624 0.472359 0.492616
C 4.172472 2.072851 -0.049953
C 4.217763 -2.171237 0.026433
C -6.205219 1.596472 -0.537942
C 3.631035 2.356096 -1.458953
C 4.939267 -1.737947 -1.258067
H -0.956714 0.331353 1.715786
H -1.621892 1.418879 0.444961
H -1.087865 -1.120765 -2.244210
H -1.716712 0.542250 -1.946076
H -2.841304 -1.237588 1.465997
H -3.454215 0.426143 1.767807
H -3.600241 -1.024818 -2.191918
H -2.918097 -2.120100 -0.934368
H 0.656539 1.081429 -0.587157
H 0.937345 -0.473289 -1.417680
H 1.138794 -0.185877 1.652176
H 1.502173 -1.614733 0.658918
H -5.543279 -1.010441 -0.992736
H -5.213598 -1.526527 0.686232
H 2.200461 1.910474 0.807917
H 3.519081 1.426007 1.905290
H 4.878775 -0.454890 1.151516
H 3.622818 -1.421816 1.965924
H -5.588010 0.894244 1.424055
H 5.090437 1.449259 -0.126003
H 3.257765 -2.666014 -0.240663
H -5.212662 1.964345 -0.853402
H -6.778730 2.446759 -0.120787
H -6.740046 1.216255 -1.427935
H 2.778783 3.058787 -1.407337
H 3.284040 1.413807 -1.919007
H 4.408269 2.795547 -2.113693
H 5.938582 -1.329672 -1.017836
H 4.348399 -0.955157 -1.766056
H 5.066958 -2.585202 -1.959334
H -7.979003 0.501764 1.039569
H 5.055268 3.894482 0.098172
H 5.360379 -3.833964 0.245164


