%chk=000056180.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056180

0 1
 O    1.075100       2.715600     -7.8299999E-02
 O    3.799600      0.5026000      0.4755000    
 O    1.220300      -3.580500      4.5699999E-02
 O   -3.249700      -1.925700      0.2855000    
 O    1.924200      -2.020800      -1.449900    
 N    1.530400     -3.4699999E-02  0.4119000    
 C   0.2149000      0.4605000      0.1832000    
 C   3.5200000E-02   1.827300     -5.8699999E-02
 C    2.631700      0.7968000      0.2226000    
 C    1.721800      -1.404500      0.8715000    
 C  -0.9196000     -0.3630000      0.2361000    
 C    2.298400       2.115800     -0.4450000    
 C   -2.197300      0.1721000      5.0099999E-02
 C   -1.243600       2.366200     -0.2249000    
 C   -2.359700       1.535700     -0.1779000    
 C   -3.360900     -0.7000000      8.4100001E-02
 C    1.636700      -2.337000     -0.3026000    
 C   -4.757500     -0.1265000     -0.1291000    
 H   0.9841000      -1.652000       1.641100    
 H    2.716200      -1.522400       1.314900    
 H  -0.8260000      -1.429300      0.4158000    
 H    3.093500       2.827000     -0.1954000    
 H    2.320400       1.969100      -1.532100    
 H   -1.374000       3.431800     -0.3944000    
 H   -3.333800       1.992000     -0.3214000    
 H   -4.833600      0.3258000      -1.121200    
 H   -4.993100      0.5970000      0.6557000    
 H   -5.490000     -0.9380000     -7.1300000E-02
 H    1.174900      -4.181300     -0.7284000    


%chk=000056180-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056180

0 1
O 1.118855 2.757048 -0.034126
O 3.808894 0.323049 0.367644
O 1.607205 -3.693086 0.199959
O -3.254005 -1.955648 0.223706
O 1.640093 -2.123507 -1.522134
N 1.494678 -0.017441 0.409532
C 0.179856 0.489267 0.161487
C 0.015390 1.893408 -0.038544
C 2.638774 0.748120 0.157105
C 1.691835 -1.398185 0.855870
C -0.964043 -0.327822 0.174758
C 2.390720 2.127611 -0.450782
C -2.261913 0.227259 0.017888
C -1.265615 2.457272 -0.186040
C -2.403911 1.629188 -0.154933
C -3.431539 -0.712409 0.048382
C 1.636321 -2.392485 -0.306686
C -4.836608 -0.147900 -0.133352
H 0.956335 -1.681954 1.625994
H 2.701692 -1.466588 1.299988
H -0.907109 -1.412893 0.308309
H 3.188331 2.808690 -0.123411
H 2.410213 2.040297 -1.556280
H -1.343385 3.539479 -0.323671
H -3.394391 2.078122 -0.273671
H -4.933725 0.375700 -1.102527
H -5.079652 0.579542 0.663517
H -5.561133 -0.975181 -0.096714
H 1.596439 -4.349353 -0.548171


