%chk=000088059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088059

0 1
 O    1.284200       1.973600      -1.323800    
 O   -4.825800     -0.2381000     -0.8629000    
 N    1.636800      0.2006000      0.8320000    
 N   -3.060300     -0.9310000      0.5376000    
 N    4.900100      -2.723700      -1.252600    
 C   0.3791000      0.3684000      0.2121000    
 C    2.770500     -0.2804000      6.9300003E-02
 C    1.803900      0.4942000       2.240500    
 C   0.2266000       1.252600     -0.8557000    
 C  -0.7164000     -0.3596000      0.6767000    
 C    2.847100      -1.802900      0.1106000    
 C   -1.964200     -0.2032000      7.3399998E-02
 C    1.999900       1.977200       2.478700    
 C   -1.021200       1.408900      -1.459100    
 C   -2.116700      0.6811000     -0.9944000    
 C    3.994900      -2.316400     -0.6516000    
 C   -4.378400     -0.9073000      6.2899999E-02
 C    1.509300       3.251500     -0.7322000    
 C   -5.269100      -1.845300      0.8384000    
 H    3.697600      0.1465000      0.4749000    
 H    2.736400      4.8300002E-02 -0.9757000    
 H   0.9495000      0.1397000       2.828600    
 H    2.675900     -4.1600000E-02   2.635500    
 H  -0.5998000      -1.059800       1.501100    
 H    2.919100      -2.146500       1.149500    
 H    1.924200      -2.234700     -0.2951000    
 H    2.864000       2.357100       1.925100    
 H    1.117200       2.549500       2.178500    
 H    2.172600       2.168400       3.542800    
 H   -1.146000       2.096300      -2.291500    
 H   -3.049700      0.8560000      -1.511700    
 H   -2.868300      -1.554200       1.319300    
 H    2.501500       3.257900     -0.2742000    
 H   0.7542000       3.510600      1.7400000E-02
 H    1.488600       4.005600      -1.524100    
 H   -4.911100      -2.872500      0.7252000    
 H   -6.293200      -1.781800      0.4602000    
 H   -5.264800      -1.571100       1.897000    


%chk=000088059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088059

0 1
O 1.388447 1.823410 -1.807476
O -4.769391 -0.462425 -0.802145
N 1.747269 0.532781 0.789986
N -3.004064 -0.720617 0.727677
N 5.144026 -2.308001 -1.397377
C 0.481418 0.532536 0.129768
C 2.918348 0.060976 0.019820
C 1.801339 0.288505 2.250967
C 0.316176 1.159610 -1.151122
C -0.666957 -0.070245 0.708642
C 2.941423 -1.501379 -0.135708
C -1.921041 -0.089199 0.044196
C 1.160042 1.424891 3.072298
C -0.920706 1.101478 -1.818570
C -2.052026 0.485322 -1.245486
C 4.148038 -1.966188 -0.834356
C -4.325910 -0.884062 0.306486
C 1.766618 3.114044 -1.188287
C -5.221073 -1.627302 1.297588
H 3.840119 0.387262 0.534203
H 2.900567 0.519407 -0.981820
H 1.344970 -0.688706 2.534702
H 2.870917 0.213598 2.521042
H -0.579776 -0.559115 1.686347
H 2.900159 -1.986079 0.858783
H 2.045946 -1.822831 -0.700237
H 1.685063 2.377207 2.882508
H 0.096792 1.566642 2.813370
H 1.224088 1.199685 4.152759
H -0.986961 1.575901 -2.803115
H -3.013308 0.457483 -1.758922
H -2.776521 -1.104370 1.647202
H 2.082934 2.969951 -0.138093
H 0.915362 3.819587 -1.230541
H 2.602907 3.497831 -1.792535
H -5.613491 -2.537410 0.811718
H -6.087941 -0.989972 1.542585
H -4.715601 -1.916307 2.235841


