%chk=000117372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117372

0 1
 O   -6.037800       1.642400     -0.9900000    
 O   -7.081800     -0.1210000      0.8870000    
 N    3.866500      0.9574000      0.3888000    
 N   0.5362000     -0.2701000     -0.7319000    
 C    2.923700      0.2356000     -0.4539000    
 C    3.290500      -1.251300     -0.4960000    
 C    4.718400      -1.430300      -1.011400    
 C    1.512000      0.4309000      8.9400001E-02
 C    5.681800     -0.5388000     -0.2679000    
 C    5.216800      0.6247000      0.3771000    
 C  -0.8115000     -9.2100002E-02 -0.2075000    
 C    7.048900     -0.8501000     -0.2569000    
 C    6.139200       1.425600       1.066300    
 C   -1.835300     -0.8388000      -1.063400    
 C    7.951900     -3.2400001E-02  0.4192000    
 C    7.496900       1.102000       1.084500    
 C   -3.237700     -0.6444000     -0.5441000    
 C   -3.995100      0.4187000      -1.011700    
 C   -3.746000      -1.531500      0.3925000    
 C   -5.292200      0.5991000     -0.5310000    
 C   -5.042900      -1.351300      0.8731000    
 C   -5.816000     -0.2862000      0.4113000    
 C   -5.944800       2.871200     -0.2718000    
 C   -7.541800      -1.069200       1.848100    
 H    2.982000      0.6506000      -1.469300    
 H    3.211600      -1.685700      0.5102000    
 H    2.612300      -1.816400      -1.145100    
 H    5.009000      -2.481100     -0.8965000    
 H    4.765200      -1.181700      -2.078600    
 H    1.280700       1.503800      0.1158000    
 H    1.464400      6.8000004E-02   1.124700    
 H    3.596400       1.855600      0.7733000    
 H   0.5818000      7.1000002E-02  -1.691600    
 H   -1.065300      0.9755000     -0.1805000    
 H  -0.8624000     -0.4653000      0.8233000    
 H    7.414500      -1.735300     -0.7713000    
 H    5.804500       2.317100       1.592400    
 H   -1.599100      -1.910900      -1.090000    
 H   -1.782900     -0.4974000      -2.105900    
 H    9.008800     -0.2818000      0.4293000    
 H    8.198400       1.737400       1.617200    
 H   -3.588900       1.110500      -1.745000    
 H   -3.149900      -2.362600      0.7588000    
 H   -5.383500      -2.076900       1.603700    
 H   -6.272300       2.738000      0.7641000    
 H   -6.600600       3.600700     -0.7548000    
 H   -4.919000       3.252500     -0.2958000    
 H   -6.949800      -1.030000       2.768900    
 H   -8.565000     -0.7858000       2.116100    
 H   -7.591700      -2.079100       1.427000    


%chk=000117372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117372

0 1
O -5.955157 1.942549 -0.781734
O -7.176591 -0.040926 0.857482
N 4.093163 1.012325 0.036555
N 0.611120 -0.110800 -0.818081
C 3.073076 0.133759 -0.555552
C 3.400034 -1.333699 -0.203608
C 4.828382 -1.695307 -0.668376
C 1.675876 0.565148 -0.053941
C 5.854004 -0.694195 -0.146328
C 5.435912 0.636344 0.178092
C -0.757566 0.087083 -0.296594
C 7.210179 -1.042615 0.030825
C 6.395827 1.573041 0.657714
C -1.787027 -0.700103 -1.146097
C 8.166370 -0.113203 0.501937
C 7.745748 1.201364 0.814563
C -3.204878 -0.556844 -0.615000
C -3.966027 0.608477 -0.884110
C -3.787193 -1.556897 0.197671
C -5.268901 0.783304 -0.375296
C -5.094147 -1.406444 0.715123
C -5.851537 -0.247571 0.427137
C -6.590669 2.767515 0.265724
C -7.819202 -1.126639 1.601219
H 3.080500 0.226106 -1.670737
H 3.318965 -1.458216 0.893850
H 2.644320 -1.984866 -0.675946
H 5.092717 -2.715269 -0.331307
H 4.853346 -1.718770 -1.778249
H 1.601488 1.685194 -0.101196
H 1.575549 0.286777 1.012768
H 3.851930 1.993452 0.180056
H 0.666962 0.115907 -1.822107
H -1.062158 1.163274 -0.261542
H -0.786903 -0.283890 0.746333
H 7.523423 -2.067526 -0.208784
H 6.074985 2.592535 0.909559
H -1.478832 -1.761543 -1.157409
H -1.734472 -0.336021 -2.192881
H 9.213614 -0.407794 0.626078
H 8.468332 1.938225 1.184448
H -3.564389 1.412074 -1.511924
H -3.221173 -2.467673 0.425769
H -5.521587 -2.206944 1.326595
H -7.378510 2.203939 0.791170
H -7.020080 3.625980 -0.273193
H -5.831314 3.121893 0.990332
H -7.304002 -1.320126 2.562362
H -8.843218 -0.774241 1.794354
H -7.851186 -2.057344 1.002478


