%chk=000036545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036545

0 1
 O  -0.6333000       1.409600      0.4670000    
 O   0.2584000     -0.3130000       1.678400    
 N   -3.592700     -0.7620000     -0.1008000    
 N    1.468400      0.7804000     -1.2000001E-03
 C   -1.965700      0.9445000      0.6538000    
 C   -2.928500       2.060200      0.2595000    
 C   -2.198500     -0.3107000     -0.1921000    
 C   -4.366100       1.557700      0.2818000    
 C   -4.520700      0.2844000     -0.5520000    
 C   -3.786400      -1.987300     -0.8758000    
 C   -5.192200      -2.534400     -0.6956000    
 C   0.3708000      0.5340000      0.8006000    
 C    2.716000      0.1160000      2.9000000E-03
 C    3.714600      0.4981000     -0.8802000    
 C    2.913100     -0.9190000      0.9051000    
 C    4.938900     -0.1701000     -0.8606000    
 C    3.516300       1.611100      -1.857400    
 C    4.137400      -1.587000      0.9246000    
 C    5.150200      -1.212600      4.1800000E-02
 H   -2.115800      0.7167000       1.718000    
 H   -2.677000       2.432200     -0.7423000    
 H   -2.810800       2.916100      0.9345000    
 H   -1.912700     -0.1138000      -1.235100    
 H   -1.544100      -1.119700      0.1513000    
 H   -4.668400       1.358900       1.318000    
 H   -5.035000       2.336000     -0.1025000    
 H   -5.563500     -2.6500000E-02 -0.4339000    
 H   -4.363600      0.5172000      -1.613500    
 H   -3.581800      -1.832200      -1.942700    
 H   -3.085700      -2.752800     -0.5199000    
 H   -5.480900      -2.572200      0.3603000    
 H   -5.940300      -1.958400      -1.248400    
 H   -5.237900      -3.558500      -1.083000    
 H    1.354200       1.533400     -0.6733000    
 H    2.183500      -1.270000       1.619500    
 H    5.739200      0.1083000      -1.541200    
 H    4.407600       1.774200      -2.473400    
 H    2.690700       1.382200      -2.539400    
 H    3.310000       2.550700      -1.334100    
 H    4.303500      -2.399100       1.626600    
 H    6.103400      -1.733000      5.7200000E-02


%chk=000036545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036545

0 1
O -0.560096 0.938609 -0.234150
O 0.283685 -0.806864 1.115654
N -3.927279 -0.781415 -0.226144
N 1.663109 0.569844 -0.244685
C -1.947786 0.631081 0.226761
C -2.764967 1.910911 0.025410
C -2.514354 -0.536686 -0.604292
C -4.254879 1.622321 0.326055
C -4.762339 0.415976 -0.491368
C -4.450664 -2.028086 -0.843136
C -5.784256 -2.499615 -0.234445
C 0.466329 0.129016 0.297543
C 2.973287 0.064187 -0.012068
C 4.054264 0.698681 -0.702302
C 3.216909 -1.024540 0.864990
C 5.363272 0.211220 -0.485415
C 3.809293 1.865533 -1.645309
C 4.536105 -1.485290 1.057212
C 5.616795 -0.872784 0.385498
H -1.906686 0.331307 1.289709
H -2.650354 2.241993 -1.025947
H -2.376446 2.717741 0.672719
H -2.403971 -0.283086 -1.691786
H -1.925803 -1.447936 -0.399115
H -4.384940 1.399707 1.402210
H -4.865693 2.514410 0.091568
H -5.805898 0.193213 -0.210158
H -4.756264 0.677855 -1.584467
H -4.563860 -1.917719 -1.953804
H -3.688714 -2.813455 -0.678388
H -5.694836 -2.574811 0.863520
H -6.620028 -1.816471 -0.469069
H -6.050567 -3.495289 -0.634150
H 1.567216 1.357567 -0.887841
H 2.376633 -1.492166 1.382127
H 6.196813 0.693044 -1.010691
H 4.758860 2.218911 -2.079595
H 3.149772 1.588032 -2.492477
H 3.347649 2.731723 -1.129303
H 4.714402 -2.326386 1.736333
H 6.640885 -1.230684 0.535298


