%chk=000048094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048094

0 1
 O    1.370600     -0.3999000     -0.1683000    
 O  -0.1783000       1.106000      0.6405000    
 O   -6.238200      0.4400000      0.7486000    
 N    6.175400      0.1859000     -0.3898000    
 C    7.319300       1.117600     -0.3660000    
 C    8.571600      0.4139000     -0.9236000    
 C    6.419100      -1.055300      0.3536000    
 C    8.879400     -0.8927000     -0.1984000    
 C    7.648900      -1.790600     -0.1793000    
 C    4.920600      0.8077000      2.3600001E-02
 C    7.611800       1.761000      0.9985000    
 C    3.747800     -0.1243000     -0.2642000    
 C    2.421300      0.5066000      0.1368000    
 C   0.1038000      2.7000001E-02  0.1369000    
 C  -0.8872000      -1.046100     -0.2461000    
 C   -2.316300     -0.6488000      1.9700000E-02
 C   -8.534200      0.1710000      0.1074000    
 C   -2.886500     -0.9373000       1.250700    
 C   -3.039300     -1.5000000E-03 -0.9714000    
 C   -7.121800      0.4760000     -0.3710000    
 C   -9.533500      0.1771000      -1.046000    
 C   -4.947500      8.1299998E-02  0.5079000    
 C   -4.209500     -0.5702000       1.496200    
 C   -4.362300      0.3657000     -0.7259000    
 C   -10.93520     -0.1703000     -0.5707000    
 H    7.095400       1.937900      -1.061400    
 H    8.414300      0.1975000      -1.988900    
 H    9.441200       1.079700     -0.8685000    
 H    6.533800     -0.8622000       1.427200    
 H    5.605900      -1.776000      0.2446000    
 H    9.709000      -1.408200     -0.6950000    
 H    9.203200     -0.6859000      0.8282000    
 H    7.848000      -2.675500      0.4361000    
 H    7.447400      -2.150000      -1.196800    
 H    4.768000       1.739900     -0.5343000    
 H    4.930000       1.061200       1.090800    
 H    8.492400       2.409800      0.9317000    
 H    6.779200       2.389500       1.330100    
 H    7.808200       1.020100       1.779000    
 H    3.718100     -0.3934000      -1.327800    
 H    3.803700      -1.066100      0.2892000    
 H    2.267800       1.440200     -0.4172000    
 H    2.417000      0.7224000       1.211800    
 H  -0.7617000      -1.273000      -1.311900    
 H  -0.6473000      -1.957700      0.3144000    
 H   -8.542700     -0.8037000      0.6115000    
 H   -8.827800      0.9043000      0.8690000    
 H   -7.084300       1.473500     -0.8238000    
 H   -6.850300     -0.2772000      -1.122000    
 H   -2.319700      -1.442400       2.027600    
 H   -2.589500      0.2313000      -1.932600    
 H   -9.547500       1.164900      -1.521100    
 H   -9.226200     -0.5462000      -1.810300    
 H   -4.659900     -0.7938000       2.459400    
 H   -4.892100      0.8960000      -1.511600    
 H   -10.96120      -1.168200     -0.1214000    
 H   -11.28690      0.5512000      0.1736000    
 H   -11.63470     -0.1585000      -1.412400    


%chk=000048094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048094

0 1
O 1.348520 -0.557405 -0.070705
O -0.033767 0.070889 1.697378
O -6.404395 -0.157444 0.585058
N 6.228116 0.252643 -0.241145
C 7.255242 1.334455 -0.361708
C 8.466410 0.793367 -1.166828
C 6.741919 -0.987245 0.393042
C 9.049510 -0.498656 -0.549240
C 7.936582 -1.559055 -0.397605
C 4.937900 0.708546 0.325635
C 7.690726 1.973514 0.991536
C 3.739188 -0.115707 -0.202527
C 2.443778 0.280028 0.507062
C 0.146697 -0.581466 0.645450
C -0.836885 -1.542713 -0.022033
C -2.300332 -1.150646 0.117360
C -8.670792 0.383856 -0.056313
C -2.917419 -1.044241 1.393509
C -3.089006 -0.904994 -1.029386
C -7.266134 0.086888 -0.585675
C -9.684323 0.629653 -1.198175
C -5.056465 -0.474401 0.352726
C -4.277472 -0.711587 1.513557
C -4.459598 -0.568301 -0.928167
C -11.104724 0.923206 -0.669192
H 6.783710 2.135755 -0.967031
H 8.123708 0.573790 -2.196746
H 9.242600 1.580204 -1.232819
H 7.048168 -0.815797 1.457817
H 5.925624 -1.732151 0.416294
H 9.867682 -0.885778 -1.185922
H 9.496073 -0.282162 0.442210
H 8.321405 -2.461431 0.115906
H 7.582443 -1.866877 -1.400537
H 4.794104 1.768676 0.037223
H 4.937619 0.682090 1.446335
H 8.390702 2.809503 0.807297
H 6.821125 2.380883 1.539475
H 8.198245 1.249620 1.653188
H 3.644290 0.040579 -1.291685
H 3.915124 -1.195662 -0.044729
H 2.181950 1.342779 0.345390
H 2.488832 0.100094 1.597354
H -0.548917 -1.649685 -1.080866
H -0.661142 -2.532604 0.449226
H -9.004539 -0.467977 0.566999
H -8.626493 1.268808 0.606973
H -6.869785 0.945503 -1.168229
H -7.271004 -0.811376 -1.239268
H -2.320545 -1.206305 2.296663
H -2.633045 -0.976935 -2.024683
H -9.340700 1.479114 -1.823453
H -9.714054 -0.257292 -1.863664
H -4.758862 -0.627660 2.492727
H -5.036849 -0.385516 -1.839224
H -11.486717 0.075824 -0.069614
H -11.108377 1.820170 -0.022040
H -11.815052 1.099835 -1.497280


