%chk=000045994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045994

1 1
 O    2.378100     -0.3189000     -0.9637000    
 O    2.822400      1.0500000E-02   1.294600    
 N   -3.081000     -0.5451000      0.2599000    
 N    4.546900     -8.0700003E-02 -0.2545000    
 C   -1.590100     -0.4663000     -7.7399999E-02
 C   -1.069900      0.7500000     -0.3682000    
 C   -3.442000      -1.998900      0.5511000    
 C   -3.881500     -1.3800000E-02 -0.9260000    
 C   -3.440200      0.2895000       1.487500    
 C  -0.9103000      -1.640200     -5.4400001E-02
 C   -1.861600       2.016700     -0.3793000    
 C   0.2904000      0.8010000     -0.6725000    
 C   0.4500000      -1.589200     -0.3586000    
 C    1.050500     -0.3686000     -0.6676000    
 C   -1.137600       3.157500      0.3291000    
 C    3.226100     -0.1166000      0.1424000    
 C    5.649800      0.1131000      0.6577000    
 H   -2.902600      -2.358800       1.434400    
 H   -4.513100      -2.023100      0.7888000    
 H   -3.301200      -2.607300     -0.3492000    
 H   -3.418700     -0.3661000      -1.854400    
 H   -4.883600     -0.4541000     -0.8591000    
 H   -4.025600       1.063700     -0.9384000    
 H   -4.249800      0.9894000       1.258100    
 H   -3.808000     -0.3816000       2.272500    
 H   -2.557800      0.7921000       1.894300    
 H   -1.280000      -2.629900      0.1691000    
 H   -2.048700       2.305700      -1.421100    
 H   -2.815100       2.019100      0.1242000    
 H   0.7789000       1.733000     -0.9410000    
 H    1.038100      -2.503200     -0.3542000    
 H  -0.8376000       2.874800       1.344200    
 H   -1.800400       4.027000      0.4068000    
 H  -0.2489000       3.493000     -0.2139000    
 H    4.755100     -0.1977000      -1.241400    
 H    6.309100     -0.7552000      0.5848000    
 H    5.301100      0.2287000       1.686600    
 H    6.195200       1.007800      0.3480000    


%chk=000045994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045994

1 1
O 2.494642 -0.835642 -0.071365
O 3.157364 1.472076 -0.061744
N -3.258345 -0.543778 0.061759
N 4.692865 -0.309734 -0.158723
C -1.715899 -0.522913 0.051348
C -0.977738 0.694426 -0.066330
C -3.834857 -1.951011 0.260150
C -3.800671 -0.049360 -1.289590
C -3.808387 0.298783 1.223087
C -1.040236 -1.766559 0.131190
C -1.494695 2.139626 -0.117510
C 0.439021 0.598813 -0.108174
C 0.359705 -1.834154 0.098176
C 1.108694 -0.641649 -0.025281
C -1.238220 2.910540 1.208030
C 3.457646 0.258429 -0.096118
C 5.924262 0.493480 -0.197472
H -3.489349 -2.363009 1.218740
H -4.931677 -1.860327 0.273194
H -3.534800 -2.600677 -0.573514
H -3.435347 -0.729240 -2.073118
H -4.901624 -0.057806 -1.255951
H -3.438098 0.964468 -1.490340
H -4.908128 0.237662 1.212461
H -3.410677 -0.114225 2.161758
H -3.492014 1.340502 1.117353
H -1.576831 -2.711411 0.221636
H -0.950419 2.661262 -0.926309
H -2.561670 2.228258 -0.382097
H 1.028104 1.513331 -0.202354
H 0.878295 -2.793989 0.161875
H -1.760707 2.453083 2.068234
H -1.580930 3.955677 1.113691
H -0.162158 2.928491 1.449411
H 4.746463 -1.329432 -0.175897
H 6.566280 0.266444 0.671394
H 5.647702 1.558278 -0.166460
H 6.488836 0.298584 -1.125941


