%chk=000041591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041591

0 1
 O   0.8122000     -3.1099999E-02 -4.6399999E-02
 O   -3.718000       1.091000     -0.8415000    
 O   8.8000000E-03  -2.078800      0.5793000    
 N    4.477900      0.2586000      0.2091000    
 N   -1.407100     -0.3577000     -0.1371000    
 C    5.001200     -0.5794000     -0.8789000    
 C    5.326200       1.438900      0.4258000    
 C    6.424000      -1.051700     -0.5760000    
 C    6.759700       1.032400      0.7716000    
 C    7.352600      0.1255000     -0.3007000    
 C    3.101000      0.6630000     -7.3799998E-02
 C    2.135700     -0.4729000      0.2257000    
 C  -0.1939000     -0.9414000      0.1724000    
 C   -2.695500     -0.9337000     -5.8100000E-02
 C   -3.826600     -0.1980000     -0.4117000    
 C   -4.391800       2.087500     -7.5900003E-02
 C   -3.636100       3.401200     -0.2050000    
 C   -2.829400      -2.251600      0.3790000    
 C   -5.091500     -0.7804000     -0.3285000    
 C   -4.094300      -2.833700      0.4624000    
 C   -5.225200      -2.098100      0.1087000    
 C   -4.290000       4.510300      0.5995000    
 H    4.994600     -3.2200001E-02  -1.831100    
 H    4.387100      -1.475100      -1.017100    
 H    4.934400       2.032800       1.260700    
 H    5.329000       2.085000     -0.4620000    
 H    6.412100      -1.719400      0.2950000    
 H    6.808400      -1.634900      -1.420400    
 H    7.381700       1.927700      0.8836000    
 H    6.771100      0.5119000       1.737700    
 H    8.336900     -0.2372000      1.5000000E-02
 H    7.500700      0.6988000      -1.224100    
 H    2.975200       1.024800      -1.102900    
 H    2.808500       1.506000      0.5674000    
 H    2.210400     -0.7635000       1.280900    
 H    2.340400      -1.348300     -0.3990000    
 H   -1.376000      0.6057000     -0.4620000    
 H   -5.412200       2.198800     -0.4604000    
 H   -4.444300       1.795900      0.9811000    
 H   -3.578500       3.690500      -1.261200    
 H   -2.599900       3.263100      0.1265000    
 H   -2.004600      -2.886200      0.6702000    
 H   -5.981400     -0.2236000     -0.6089000    
 H   -4.199900      -3.859900      0.8021000    
 H   -6.209700      -2.552200      0.1717000    
 H   -3.727600       5.442500      0.4872000    
 H   -4.319500       4.257900       1.664300    
 H   -5.315300       4.689000      0.2600000    


%chk=000041591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041591

0 1
O 0.883366 -0.069054 0.415934
O -3.376445 1.204885 0.150376
O 0.126282 -2.303313 0.357016
N 4.608143 0.227973 0.174233
N -1.337838 -0.440183 0.280343
C 5.062104 -0.556653 -1.003763
C 5.502220 1.386432 0.432143
C 6.498370 -1.081495 -0.803940
C 6.951412 0.920728 0.679294
C 7.470027 0.085348 -0.513301
C 3.179098 0.610489 0.092124
C 2.282793 -0.554345 0.534253
C -0.109912 -1.068386 0.351507
C -2.611582 -1.051625 0.188921
C -3.727507 -0.160704 0.117027
C -4.456098 2.204217 0.064519
C -3.804184 3.587930 0.119996
C -2.837005 -2.447088 0.164762
C -5.041153 -0.659430 0.021772
C -4.158389 -2.943046 0.069801
C -5.255435 -2.059326 -0.001574
C -4.856668 4.714621 0.026937
H 5.026311 0.071070 -1.934650
H 4.370648 -1.405150 -1.156511
H 5.122150 1.927375 1.318777
H 5.493282 2.106975 -0.429352
H 6.503981 -1.789659 0.046912
H 6.813989 -1.638379 -1.707206
H 7.597007 1.803993 0.849164
H 6.973613 0.304737 1.599066
H 8.486826 -0.298218 -0.305693
H 7.545020 0.733165 -1.411569
H 2.877609 0.937983 -0.932797
H 3.000324 1.465200 0.769930
H 2.483468 -0.826611 1.585232
H 2.404799 -1.454573 -0.092784
H -1.337565 0.584133 0.287629
H -5.011632 2.063252 -0.886028
H -5.158725 2.060793 0.911721
H -3.077637 3.674592 -0.709518
H -3.231984 3.676900 1.062325
H -1.979883 -3.121608 0.219597
H -5.894304 0.022702 -0.034446
H -4.322928 -4.025475 0.052007
H -6.276767 -2.447484 -0.075333
H -4.371619 5.705493 0.069668
H -5.581747 4.659502 0.860491
H -5.424335 4.659114 -0.920809


