%chk=000053366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053366

0 1
 O   0.4470000      0.9741000       1.079000    
 N   -2.320200      0.8735000      0.4871000    
 N   -5.443400      0.5654000     -0.6016000    
 C   -2.431200     -0.4350000     -0.1617000    
 C   -3.513700       1.715900      0.4353000    
 C   -3.279000     -0.4779000      -1.436900    
 C   -4.853000       1.007700      0.6679000    
 C   -4.783200     -0.6177000      -1.167500    
 C   -1.804800      0.7315000       1.848200    
 C  -0.4098000      0.1272000       1.833500    
 C   -6.873900      0.2953000     -0.4278000    
 C    1.771900      0.4627000       1.026900    
 C    1.791200     -0.9679000      0.5241000    
 C    2.659100       1.385500      0.2175000    
 C    2.202100      -1.974900       1.377400    
 C    1.398100      -1.229100     -0.7753000    
 C    4.005700       1.466800      0.5245000    
 C    2.102800       2.126300     -0.8099000    
 C    2.220200      -3.290700      0.9146000    
 C    1.416300      -2.544800      -1.238000    
 C    1.827300      -3.575700     -0.3930000    
 C    4.822900       2.316600     -0.2208000    
 C    2.920100       2.976300      -1.555100    
 C    4.280200       3.071400      -1.260600    
 C    1.847200      -4.982400     -0.8878000    
 H   -2.808200      -1.197000      0.5337000    
 H   -1.428200     -0.7499000     -0.4647000    
 H   -3.530600       2.233700     -0.5335000    
 H   -3.420500       2.535300       1.161000    
 H   -2.968400      -1.358700      -2.014700    
 H   -3.074200      0.3875000      -2.079100    
 H   -4.776500      0.1930000       1.399000    
 H   -5.517600       1.756800       1.119400    
 H   -5.255500     -0.8435000      -2.132600    
 H   -4.951100      -1.494200     -0.5269000    
 H   -2.474500      0.1312000       2.475800    
 H   -1.724600       1.724300       2.309400    
 H  -0.4532000     -0.9003000       1.463900    
 H  -4.2700000E-02  8.5800000E-02   2.867000    
 H   -7.056900     -0.5037000      0.2997000    
 H   -7.332600      8.1000002E-03  -1.380600    
 H   -7.399300       1.196200     -9.1499999E-02
 H    2.148900      0.4939000       2.059700    
 H    2.509200      -1.765500       2.397700    
 H    1.059600     -0.4458000      -1.445300    
 H    4.438000      0.8821000       1.331200    
 H    1.048600       2.066300      -1.062800    
 H    2.540700      -4.085400       1.583100    
 H    1.102500      -2.754800      -2.257200    
 H    5.882000       2.390300      8.2000000E-03
 H    2.498000       3.563000      -2.365800    
 H    4.916700       3.732700      -1.841200    
 H    2.633400      -5.563800     -0.3944000    
 H   0.8826000      -5.462000     -0.6946000    
 H    2.048800      -5.020100      -1.963700    


%chk=000053366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053366

0 1
O 0.253427 0.764543 1.331499
N -2.784032 0.030038 1.184040
N -4.876502 0.501921 -1.149274
C -3.100757 -1.399770 1.018973
C -2.601582 0.829648 -0.047093
C -4.092925 -1.671971 -0.136512
C -3.920176 1.460273 -0.544479
C -5.241276 -0.645883 -0.273686
C -1.929867 0.344482 2.336730
C -0.455086 -0.116601 2.273234
C -6.070958 1.205952 -1.660883
C 1.670807 0.392026 1.135806
C 1.799030 -0.953658 0.422227
C 2.347300 1.552316 0.395974
C 2.485333 -2.033703 1.020974
C 1.209591 -1.147392 -0.853821
C 3.613526 1.360533 -0.212916
C 1.754878 2.838142 0.360090
C 2.594160 -3.279615 0.358480
C 1.313697 -2.389130 -1.509230
C 2.011608 -3.478304 -0.917022
C 4.277228 2.435601 -0.843847
C 2.416106 3.912263 -0.278487
C 3.680472 3.717436 -0.879869
C 2.125409 -4.810005 -1.639143
H -3.543316 -1.750652 1.975667
H -2.192038 -2.030852 0.839624
H -2.137949 0.239249 -0.867859
H -1.895239 1.648440 0.176134
H -4.517104 -2.682746 0.024070
H -3.564474 -1.699294 -1.107145
H -4.375791 2.002176 0.325144
H -3.680465 2.215432 -1.321464
H -6.104630 -1.144502 -0.754443
H -5.572770 -0.309378 0.740731
H -2.381045 -0.123109 3.237510
H -1.934825 1.438926 2.503463
H -0.379750 -1.172805 1.942234
H 0.013757 -0.031505 3.280830
H -6.674956 1.705738 -0.860311
H -6.729306 0.492364 -2.188964
H -5.762201 1.984085 -2.382901
H 2.146574 0.294090 2.141222
H 2.940051 -1.904411 2.011914
H 0.668804 -0.316685 -1.321736
H 4.075074 0.366219 -0.202723
H 0.776763 2.979299 0.827772
H 3.133539 -4.104965 0.838888
H 0.851992 -2.521659 -2.495867
H 5.255312 2.272201 -1.310759
H 1.944341 4.901444 -0.304299
H 4.193189 4.551415 -1.372598
H 2.665146 -5.555802 -1.030600
H 1.128256 -5.225210 -1.877774
H 2.667951 -4.701044 -2.597324


