%chk=000046149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046149

0 1
 O    2.888800      -2.049200     -0.3127000    
 O   -4.744500     -0.9263000     -0.2193000    
 O    1.602900     -0.5857000      -1.510500    
 N    4.966700      0.9239000      0.4716000    
 N   0.6775000      -2.072300      4.3200001E-02
 C    5.187200       1.396100     -0.9026000    
 C    4.749400       2.049300       1.391400    
 C    6.398200       2.327200     -0.9783000    
 C    5.946100       3.001700       1.390900    
 C    6.256700       3.500700     -1.5699999E-02
 C    3.835000     -1.4000000E-03  0.5189000    
 C    4.041200      -1.211100     -0.3959000    
 C    5.251500      -2.052500     -1.1200000E-02
 C    1.695900      -1.477500     -0.6759000    
 C   -6.444800      0.7383000      8.8900000E-02
 C   -6.886400       2.167300     -0.2191000    
 C  -0.7068000      -1.792300     -1.3800000E-02
 C   -5.105400      0.4124000     -0.5565000    
 C   -8.210800       2.500300      0.4671000    
 C   -1.595400      -2.492500      0.7882000    
 C   -3.415500      -1.211100     -0.1512000    
 C   -1.148900     -0.8067000     -0.8838000    
 C   -2.957600      -2.200200      0.7194000    
 C   -2.511200     -0.5144000     -0.9529000    
 C   -8.636800       3.933200      0.1904000    
 C   -1.132900      -3.557100       1.729300    
 H    5.421300      0.5764000      -1.586500    
 H    4.298200       1.910600      -1.290200    
 H    3.839900       2.603700       1.124300    
 H    4.613600       1.673400       2.412800    
 H    7.310100       1.765700     -0.7376000    
 H    6.514700       2.702100      -2.001500    
 H    5.741500       3.854000       2.048600    
 H    6.825500       2.486900       1.798500    
 H    5.448400       4.159000     -0.3574000    
 H    7.176400       4.095700     -9.6000005E-03
 H    3.697100     -0.3661000       1.546200    
 H    2.910800      0.5351000      0.2745000    
 H    4.136600     -0.9363000      -1.450700    
 H    5.306800      -2.948000     -0.6401000    
 H    5.169400      -2.404200       1.023200    
 H    6.188400      -1.498800     -0.1200000    
 H   -6.368700      0.5902000       1.173500    
 H   -7.200900      2.3399999E-02 -0.2588000    
 H   -6.990000       2.295500      -1.303400    
 H   -6.114500       2.870500      0.1168000    
 H   0.9702000      -2.798400      0.6904000    
 H   -4.367100       1.134100     -0.1833000    
 H   -5.181500      0.4980000      -1.646600    
 H   -8.993300       1.817000      0.1171000    
 H   -8.116100       2.357800       1.549900    
 H  -0.5172000     -0.2276000      -1.540700    
 H   -3.671800      -2.736800       1.339300    
 H   -2.830000      0.2425000      -1.663600    
 H   -7.890000       4.643100      0.5600000    
 H   -8.770500       4.102400     -0.8828000    
 H   -9.586800       4.149300      0.6892000    
 H  -0.4431000      -3.141800       2.471600    
 H  -0.6388000      -4.366700       1.182100    
 H   -1.968400      -4.003400       2.279900    


%chk=000046149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046149

0 1
O 2.786919 -1.596239 0.224950
O -4.999441 -0.461185 0.574643
O 1.566781 0.216595 -0.677520
N 5.671020 0.844147 0.287271
N 0.550957 -1.566588 0.516979
C 5.183692 2.040538 -0.448893
C 6.691115 1.208057 1.302645
C 6.344090 2.752956 -1.172549
C 7.902082 1.894482 0.636942
C 7.456792 3.136968 -0.169279
C 4.565494 0.014783 0.817785
C 4.061804 -0.975320 -0.260529
C 5.029608 -2.125010 -0.528806
C 1.607116 -0.866848 -0.037219
C -7.073463 0.697477 0.121725
C -7.779856 1.898091 -0.548946
C -0.834593 -1.231218 0.494669
C -5.558705 0.728542 -0.091106
C -9.312115 1.880850 -0.345456
C -1.741774 -2.116344 1.161953
C -3.607523 -0.648585 0.503706
C -1.324488 -0.073816 -0.155374
C -3.115194 -1.806849 1.153050
C -2.705046 0.220425 -0.152805
C -10.019823 3.076293 -1.018814
C -1.242976 -3.366645 1.867992
H 4.411554 1.724936 -1.173141
H 4.690837 2.762177 0.255418
H 6.265415 1.896305 2.080909
H 7.015252 0.285238 1.819259
H 6.756491 2.072121 -1.942247
H 5.957739 3.651998 -1.690258
H 8.638676 2.176330 1.414128
H 8.390007 1.168629 -0.042391
H 7.069831 3.908287 0.528985
H 8.319648 3.584723 -0.697990
H 4.930020 -0.566256 1.686025
H 3.705708 0.634289 1.166807
H 3.827604 -0.420122 -1.186912
H 4.679188 -2.757922 -1.362006
H 5.141942 -2.758562 0.369608
H 6.014459 -1.699196 -0.788892
H -7.283121 0.693650 1.208736
H -7.471923 -0.251691 -0.285623
H -7.558335 1.901489 -1.636946
H -7.370575 2.847379 -0.143816
H 0.820988 -2.430185 0.990671
H -5.113778 1.645865 0.349947
H -5.309476 0.701561 -1.173329
H -9.721371 0.931720 -0.747260
H -9.534969 1.880537 0.740895
H -0.620280 0.591521 -0.659162
H -3.832896 -2.464363 1.654389
H -3.052417 1.123133 -0.663325
H -9.650833 4.036781 -0.611823
H -9.836815 3.082408 -2.110021
H -11.113195 3.040356 -0.860014
H -0.525268 -3.128126 2.678635
H -0.741647 -4.067357 1.170023
H -2.080632 -3.914811 2.328709


