%chk=000027590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027590

0 1
 O    2.116700       2.154000      0.4726000    
 O   -2.457900      -2.808600      0.4472000    
 O   -1.366300       2.439800     -0.2703000    
 O   -3.916900       1.749600      0.2727000    
 O    3.072100       3.841300     -0.7684000    
 N    3.119200      -2.486600      0.4976000    
 N   0.2729000      -1.796400     -0.1573000    
 N    3.290100       3.760900       1.519300    
 C    2.183800      -3.131700     -0.4103000    
 C    2.616300      -1.668800     -0.5945000    
 C   0.6922000      -3.186500     -9.4099998E-02
 C    1.293700     -0.9343000     -0.4265000    
 C   0.8224000      0.3423000     -0.4656000    
 C    4.480800      -2.917100      0.2277000    
 C  -0.8864000      -1.120300     -1.1500000E-02
 C  -0.5811000      0.2224000     -0.1988000    
 C    1.593900       1.570400     -0.7253000    
 C   -2.199800      -1.621000      0.2779000    
 C   -1.595400       1.246300     -0.1144000    
 C   -3.274700     -0.5676000      0.3693000    
 C   -2.977700      0.7369000      0.1867000    
 C   -4.646100      -1.122600      0.6509000    
 C    2.843600       3.296800      0.3067000    
 C   -4.495300       2.000800     -0.9916000    
 H    2.529300      -3.890000      -1.097800    
 H    3.246700      -1.421600      -1.437800    
 H   0.1371000      -3.741900     -0.8549000    
 H   0.4918000      -3.568200      0.9104000    
 H    4.708100      -3.120900     -0.8269000    
 H    4.694400      -3.831300      0.7922000    
 H    5.183000      -2.150500      0.5732000    
 H    2.435400       1.334000      -1.389800    
 H   0.9735000       2.309000      -1.245600    
 H   -5.398200     -0.3334000      0.7469000    
 H   -4.645900      -1.686400       1.589700    
 H   -4.963400      -1.787400     -0.1591000    
 H   -5.229800       2.803600     -0.8761000    
 H   -5.020500       1.120000      -1.376900    
 H   -3.746300       2.334800      -1.718100    
 H    3.074500       3.274400       2.383000    
 H    3.849300       4.604300       1.588900    


%chk=000027590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027590

0 1
O 1.848212 2.474772 -0.006434
O -2.246128 -3.060279 0.369314
O -1.906325 2.326452 -0.903631
O -4.443650 1.154314 -0.061923
O 3.892127 1.371782 -0.447094
N 3.042659 -1.971329 0.565625
N 0.326658 -1.723840 -0.351385
N 3.597367 2.784333 1.403529
C 2.377122 -2.865798 -0.458213
C 2.602139 -1.385674 -0.786589
C 0.881430 -3.093268 -0.188083
C 1.267135 -0.754087 -0.715466
C 0.611940 0.486155 -0.849327
C 4.517572 -2.136905 0.692562
C -0.920073 -1.148909 -0.232423
C -0.777919 0.225380 -0.541334
C 1.235160 1.803755 -1.204701
C -2.182163 -1.804165 0.112800
C -1.950117 1.099080 -0.551479
C -3.371029 -0.917164 0.156679
C -3.256531 0.439120 -0.134759
C -4.701055 -1.524913 0.527044
C 3.183967 2.137393 0.260454
C -4.538126 2.627144 -0.187810
H 2.961282 -3.657497 -0.939696
H 3.372743 -1.017017 -1.464073
H 0.411396 -3.780752 -0.912197
H 0.684887 -3.462985 0.831449
H 5.025398 -2.478165 -0.238733
H 4.718368 -2.869670 1.493676
H 4.945116 -1.161306 0.978576
H 2.028104 1.687271 -1.963139
H 0.470538 2.522630 -1.528974
H -5.438785 -1.392778 -0.285986
H -5.128870 -1.029167 1.417895
H -4.574202 -2.599741 0.731520
H -5.591451 2.835277 0.057255
H -4.295248 2.952724 -1.210678
H -3.861915 3.132986 0.520118
H 2.949712 3.372293 1.922474
H 4.551654 2.651050 1.724459


