%chk=000148517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148517

1 1
 O   -3.233200       3.648800     -0.2685000    
 O   -2.156800      -1.228400     -0.4232000    
 O    3.186300      0.1355000     -0.5205000    
 N   -1.429000       1.493700     -0.2578000    
 N    2.425500      -2.545700     -0.6823000    
 N    3.172800      -3.336300     -0.7659000    
 C   -1.104500       2.735200      0.4530000    
 C   -2.415800       1.631000      -1.337900    
 C  -0.4716000      0.4796000     -0.3633000    
 C   -2.389900       3.444200      0.8647000    
 C   -3.631300       2.398500     -0.8304000    
 C  -0.8393000     -0.8796000     -0.4460000    
 C   0.9026000      0.7937000     -0.3910000    
 C    1.867900     -0.2077000     -0.4965000    
 C   -4.050500      -1.810300      0.9696000    
 C   -2.581600      -2.084200      0.6353000    
 C   0.1260000      -1.881000     -0.5515000    
 C    5.181000      0.5176000      0.7989000    
 C    1.479500      -1.545000     -0.5768000    
 C    3.694500      0.8347000      0.6138000    
 C   -4.491300      -2.653600       2.164000    
 C   -4.955700      -2.079400     -0.2344000    
 C    5.714600       1.185400       2.064400    
 C    5.999700      0.9534000     -0.4180000    
 H  -0.5104000       2.534700       1.352400    
 H  -0.5270000       3.390400     -0.2108000    
 H   -1.948000       2.189800      -2.158400    
 H   -2.748700      0.6733000      -1.747300    
 H   -2.155600       4.424500       1.291700    
 H   -2.935000       2.872400       1.625600    
 H   -4.184100       1.819800     -8.0499999E-02
 H   -4.314700       2.605900      -1.659800    
 H    1.228300       1.830600     -0.3540000    
 H   -4.156500     -0.7490000       1.228800    
 H   -1.969800      -1.914300       1.531400    
 H   -2.449200      -3.126400      0.3208000    
 H  -0.1694000      -2.924800     -0.6238000    
 H    5.295300     -0.5694000      0.8990000    
 H    3.147000      0.5408000       1.519300    
 H    3.549900       1.910700      0.4586000    
 H   -4.408300      -3.724200       1.947700    
 H   -3.874600      -2.436300       3.042500    
 H   -5.532800      -2.441000       2.427300    
 H   -4.693200      -1.433200      -1.078500    
 H   -4.876100      -3.120200     -0.5658000    
 H   -6.003500      -1.883600      1.7400000E-02
 H    5.626400       2.275700       2.006600    
 H    5.160700      0.8467000       2.946300    
 H    6.770300      0.9387000       2.219000    
 H    5.670600      0.4331000      -1.323400    
 H    5.907300       2.030700     -0.5930000    
 H    7.060900      0.7242000     -0.2732000    


%chk=000148517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148517

1 1
O -3.225479 3.757976 0.309513
O -2.316294 -0.975061 0.229800
O 3.248673 -0.212833 0.588012
N -1.257720 1.642295 0.007367
N 2.220590 -2.666528 0.702004
N 2.995519 -3.534559 0.841120
C -0.841229 3.028498 0.364437
C -2.542500 1.638749 -0.760118
C -0.427660 0.559670 0.178942
C -2.001892 3.739991 1.107623
C -3.646789 2.381404 0.013718
C -0.936617 -0.820891 0.255677
C 0.987335 0.759544 0.327030
C 1.884174 -0.299458 0.494789
C -4.419537 -2.225273 0.439569
C -2.889230 -2.334844 0.462697
C -0.055285 -1.883870 0.425265
C 5.426455 0.907764 0.670950
C 1.354724 -1.644458 0.542632
C 3.913893 1.130984 0.554111
C -5.016854 -3.577919 0.902478
C -4.952396 -1.832189 -0.956847
C 6.117374 2.288286 0.801599
C 5.981528 0.109503 -0.529804
H 0.032024 3.008647 1.035081
H -0.586620 3.590793 -0.555400
H -2.345674 2.179944 -1.707421
H -2.846577 0.610704 -0.982946
H -1.737418 4.794798 1.284022
H -2.181233 3.236771 2.081753
H -3.890676 1.840715 0.951799
H -4.552195 2.473313 -0.606111
H 1.390736 1.766810 0.221078
H -4.710326 -1.445349 1.171515
H -2.528205 -2.693885 1.447841
H -2.530626 -3.013883 -0.338453
H -0.420983 -2.908808 0.508727
H 5.609002 0.333445 1.600798
H 3.522025 1.725200 1.402996
H 3.654569 1.620137 -0.406609
H -4.727882 -4.398980 0.219275
H -4.692751 -3.846732 1.924642
H -6.118941 -3.523246 0.904898
H -4.535959 -0.870163 -1.305386
H -4.701134 -2.605844 -1.707162
H -6.051786 -1.733828 -0.935196
H 5.944342 2.910120 -0.097269
H 5.764120 2.849248 1.686602
H 7.207587 2.153749 0.904740
H 5.482738 -0.869509 -0.636562
H 5.848359 0.672661 -1.473339
H 7.062403 -0.073912 -0.400874


