%chk=000046996.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046996

0 1
 O    1.584500       5.133000      0.9943000    
 O    2.652500       2.763100      7.3000002E-03
 O    2.466200      0.4177000       1.459400    
 O    4.314300      -2.396400       1.127000    
 N  -0.7766000       2.289200      0.6968000    
 N   -3.201300      0.8684000      0.1851000    
 C   -1.333400       1.382700       1.708600    
 C   -1.864300       2.923000     -5.8200002E-02
 C   -2.175000      0.2830000       1.056900    
 C   -2.724800       1.874900     -0.7684000    
 C   6.9399998E-02   3.302500       1.326100    
 C   0.7527000       4.203100      0.2944000    
 C   -4.319300      8.8000000E-02 -0.1302000    
 C    1.615900       3.433600     -0.7029000    
 C   -5.173300     -0.3977000      0.8802000    
 C   -4.625400     -0.2352000      -1.467200    
 C   -6.288100      -1.175100      0.5661000    
 C   -5.740200      -1.012500      -1.781300    
 C   -6.571500      -1.482500     -0.7648000    
 C    3.098400       1.582600     -0.5242000    
 C    3.005300      0.4021000      0.2064000    
 C    3.645300       1.579800      -1.803800    
 C    3.463600     -0.7931000     -0.3481000    
 C    4.103600      0.3846000      -2.358100    
 C    4.012900     -0.8017000      -1.630200    
 C    3.379700      -2.043200      0.3946000    
 C    2.190300      -2.942000      0.3135000    
 C    1.139100      -2.572100     -0.4936000    
 C    2.192100      -4.105100       1.048600    
 C   2.7899999E-02  -3.411800     -0.5697000    
 C    1.080900      -4.944900      0.9723000    
 C  -1.1000000E-03  -4.598100      0.1632000    
 H  -0.5224000      0.9033000       2.270200    
 H   -1.948600       1.936900       2.430300    
 H   -2.495900       3.530200      0.6043000    
 H   -1.488200       3.579900     -0.8476000    
 H   -2.618700     -0.3248000       1.853900    
 H   -1.533500     -0.3810000      0.4629000    
 H   -3.570200       2.391000      -1.240600    
 H   -2.138100       1.390100      -1.559400    
 H  -0.5057000       3.926600       2.024400    
 H   0.8417000       2.820800       1.940200    
 H   2.2700001E-02   4.814500     -0.2438000    
 H    1.007400       2.734100      -1.289000    
 H    2.091900       4.138600      -1.394600    
 H   -4.979800     -0.1603000       1.924000    
 H   -3.993700      0.1022000      -2.285200    
 H    1.998000       5.713500      0.3326000    
 H   -6.937200      -1.538900       1.357300    
 H   -5.959700      -1.254400      -2.817200    
 H   -7.439500      -2.087800      -1.009300    
 H    3.729800       2.497700      -2.378700    
 H    4.532900      0.3781000      -3.355700    
 H    4.374400      -1.726400      -2.072700    
 H    2.484100     -0.4694000       1.852600    
 H    1.123700      -1.657700      -1.076300    
 H    3.022000      -4.395800       1.685000    
 H  -0.8157000      -3.141200      -1.198200    
 H    1.057700      -5.868600       1.543100    
 H  -0.8667000      -5.251600      0.1044000    


%chk=000046996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046996

0 1
O 1.862460 3.810948 0.847738
O 1.647704 1.169643 0.150911
O 3.056907 -0.335397 1.840093
O 4.458442 -2.350437 2.304520
N -1.744486 2.735837 0.413683
N -4.578666 2.628699 -0.183748
C -2.631298 1.780143 1.121592
C -2.505430 3.965381 0.087412
C -3.830219 1.418476 0.230003
C -3.716097 3.648765 -0.809528
C -0.469194 3.009501 1.119559
C 0.673762 3.342884 0.127220
C -5.936598 2.520458 -0.580613
C 1.024060 2.146187 -0.767837
C -6.829149 1.633257 0.097751
C -6.475268 3.316633 -1.637859
C -8.187968 1.554986 -0.263061
C -7.841673 3.236517 -1.982642
C -8.713605 2.356643 -1.304653
C 2.203481 0.008445 -0.381113
C 2.934355 -0.795262 0.554870
C 2.111347 -0.390528 -1.726411
C 3.517345 -2.040682 0.121246
C 2.742145 -1.587564 -2.166550
C 3.431922 -2.401021 -1.262250
C 4.220267 -2.854979 1.128776
C 4.669085 -4.258813 0.879814
C 3.898631 -5.190982 0.132076
C 5.869515 -4.693854 1.504704
C 4.336993 -6.525897 -0.004204
C 6.314274 -6.021728 1.350168
C 5.549912 -6.941700 0.592372
H -2.058087 0.862539 1.347203
H -3.008573 2.204089 2.085810
H -2.869620 4.468137 1.018720
H -1.847371 4.677197 -0.443548
H -4.493701 0.734287 0.780407
H -3.452644 0.877017 -0.668189
H -4.294799 4.579103 -0.942165
H -3.353734 3.317622 -1.811367
H -0.550522 3.854387 1.841564
H -0.177235 2.110427 1.693435
H 0.378617 4.190065 -0.517575
H 0.104559 1.725991 -1.218827
H 1.755849 2.435679 -1.546801
H -6.470681 1.023766 0.933333
H -5.828880 3.985873 -2.212876
H 2.291363 3.009068 1.250840
H -8.845313 0.869706 0.285113
H -8.221221 3.861214 -2.800000
H -9.771910 2.294739 -1.578346
H 1.566940 0.227916 -2.446079
H 2.690820 -1.862502 -3.224533
H 3.944233 -3.299109 -1.615929
H 3.679755 -1.015440 2.329565
H 2.940009 -4.887947 -0.300760
H 6.434065 -3.977225 2.109691
H 3.728827 -7.242062 -0.567281
H 7.248341 -6.342958 1.823305
H 5.890957 -7.976639 0.478252


