%chk=000003538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003538

0 1
 O   -3.882400       2.204400     -0.4083000    
 O   -2.111200       3.024200       1.004800    
 N   0.6824000      -2.301700      0.4839000    
 N  -0.4650000      -3.038300      0.7704000    
 N    5.622500       1.614700     -0.4082000    
 C   -1.642900     -0.6947000     -0.6973000    
 C  -0.6031000     -0.2022000      0.1262000    
 C   -1.530900      -2.085200      -1.256900    
 C   -2.785500      8.5000001E-02 -0.9185000    
 C   -2.851000       1.321400     -0.3078000    
 C   -1.840200       1.789000      0.5006000    
 C   0.6334000      -1.018300      0.2701000    
 C  -0.6985000       1.053000      0.7403000    
 C   -1.448700      -3.020800     -7.5300001E-02
 C    1.945200     -0.3269000      9.0700001E-02
 C   -3.405200       3.281700      0.4233000    
 C   -2.640800      -3.901300      0.2009000    
 C    2.033100      0.7658000     -0.7621000    
 C    3.061000     -0.7843000      0.7798000    
 C    3.257900       1.412100     -0.9288000    
 C    4.285800     -0.1379000      0.6132000    
 C    4.384300      0.9603000     -0.2410000    
 H  -0.6438000      -2.186400      -1.891100    
 H   -2.401300      -2.340000      -1.870900    
 H   -3.601600     -0.2731000      -1.537000    
 H   8.2599998E-02   1.442200       1.384100    
 H   -4.126700       3.446800       1.231600    
 H   -3.342500       4.192200     -0.1837000    
 H   -3.497900      -3.275300      0.4633000    
 H   -2.431600      -4.587600       1.026000    
 H   -2.879100      -4.482400     -0.6940000    
 H    1.187000       1.124600      -1.340400    
 H    3.005800      -1.631500       1.457800    
 H    3.323800       2.262400      -1.602900    
 H    5.155700     -0.4979000       1.156500    
 H    5.694900       2.409800      -1.028900    
 H    6.439800       1.286100      8.8600002E-02


%chk=000003538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003538

0 1
O -4.093826 2.152998 -0.322514
O -2.262549 3.098823 0.915665
N 0.706918 -2.272306 0.388585
N -0.423613 -3.013087 0.713242
N 5.823868 1.537308 -0.316238
C -1.698798 -0.721435 -0.744546
C -0.600101 -0.166719 -0.006205
C -1.554895 -2.128725 -1.301160
C -2.919039 -0.001448 -0.890658
C -2.997888 1.260043 -0.302634
C -1.917593 1.813934 0.419879
C 0.658864 -0.949452 0.144573
C -0.716088 1.134545 0.582974
C -1.487658 -3.033438 -0.065955
C 1.977853 -0.274005 0.043593
C -3.654085 3.344588 0.457835
C -2.666369 -3.889458 0.318253
C 2.160990 0.923314 -0.704963
C 3.125713 -0.848525 0.661992
C 3.425624 1.523597 -0.830562
C 4.392194 -0.258230 0.545981
C 4.567349 0.944201 -0.203672
H -0.613141 -2.230693 -1.876422
H -2.400794 -2.398560 -1.953334
H -3.758442 -0.420901 -1.451488
H 0.110443 1.561838 1.155136
H -4.310617 3.456126 1.337824
H -3.666843 4.227647 -0.203848
H -3.578479 -3.271149 0.428760
H -2.466419 -4.405888 1.270119
H -2.880239 -4.646078 -0.461819
H 1.306134 1.378110 -1.217008
H 2.992044 -1.772609 1.232597
H 3.538643 2.440309 -1.422575
H 5.257181 -0.717447 1.040737
H 5.950246 2.396144 -0.843635
H 6.638714 1.116526 0.120492


