%chk=000033084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033084

0 1
 O  -0.8495000      -3.056400     -0.3044000    
 O   -5.251400       1.495700      0.2651000    
 N    4.906100       1.131100      0.1787000    
 N    2.481200     -0.4508000      0.1335000    
 N    1.283800     -0.9773000      0.4647000    
 C    4.927000     -0.2944000      0.5249000    
 C    3.848000       1.398700     -0.8016000    
 C    3.568600     -0.7442000       1.069700    
 C    2.482000      0.9591000     -0.2671000    
 C    6.206800       1.559400     -0.3325000    
 C   0.5645000      -1.244500     -0.5681000    
 C  -0.7864000      -1.836800     -0.3483000    
 C   -1.964400     -0.9575000     -0.1863000    
 C   -1.793500      0.4135000     -0.2416000    
 C   -3.207400      -1.528500      1.6400000E-02
 C   -4.167100      0.6864000      0.1167000    
 C   -2.904600       1.242800     -8.8799998E-02
 C   -4.318500     -0.6992000      0.1692000    
 C   -5.025200       2.902900      0.1999000    
 H    5.685100     -0.4785000       1.295900    
 H    5.194300     -0.9055000     -0.3480000    
 H    4.054300      0.8851000      -1.750600    
 H    3.804000       2.473600      -1.015700    
 H    3.611500      -1.824400       1.255800    
 H    3.373500     -0.2598000       2.035700    
 H    2.195400       1.588400      0.5862000    
 H    1.740100       1.138100      -1.054500    
 H    6.490600       1.024600      -1.246100    
 H    6.987400       1.396600      0.4189000    
 H    6.199400       2.633200     -0.5500000    
 H   0.8458000      -1.084800      -1.624000    
 H  -0.8271000      0.8793000     -0.4029000    
 H   -3.344300      -2.605000      5.9999999E-02
 H   -2.716300       2.309700     -0.1411000    
 H   -5.299600      -1.138100      0.3288000    
 H   -5.994700       3.392800      0.3378000    
 H   -4.651500       3.205200     -0.7843000    
 H   -4.376000       3.244300       1.013400    


%chk=000033084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033084

0 1
O -1.170015 -2.092411 -2.513711
O -5.385730 0.967068 1.192030
N 5.129048 0.969378 -0.175434
N 2.378372 0.272573 -0.562723
N 1.039892 0.047346 -0.673616
C 4.110959 1.389824 0.815481
C 4.773396 -0.351508 -0.738979
C 2.741524 1.524842 0.131900
C 3.410685 -0.303222 -1.457259
C 6.501483 0.999507 0.368151
C 0.549354 -0.855432 -1.515714
C -0.888298 -1.192596 -1.641553
C -1.991750 -0.563987 -0.842723
C -1.813686 0.445828 0.139832
C -3.317519 -1.024196 -1.104167
C -4.221724 0.509861 0.561941
C -2.914591 0.983389 0.840013
C -4.418813 -0.500435 -0.416519
C -5.245197 2.011021 2.210726
H 4.400704 2.370801 1.234090
H 4.033252 0.661050 1.663022
H 4.734278 -1.140796 0.055938
H 5.545940 -0.649502 -1.471383
H 1.947322 1.736622 0.865959
H 2.784247 2.361217 -0.597648
H 3.487709 0.302585 -2.385298
H 3.122527 -1.331621 -1.735407
H 6.657130 0.290191 1.219423
H 6.736230 2.018436 0.723632
H 7.222190 0.742493 -0.428314
H 1.165439 -1.448351 -2.211537
H -0.804352 0.806029 0.349701
H -3.446084 -1.802506 -1.863359
H -2.744071 1.761065 1.590845
H -5.437317 -0.849216 -0.612211
H -6.268482 2.208490 2.562026
H -4.812417 2.935480 1.781731
H -4.619734 1.665480 3.056515


