%chk=000146928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146928

0 1
 O    1.154000      -2.313200      -1.681500    
 O    1.628600      -2.202900      0.4589000    
 N   0.8041000      0.4601000     -0.6230000    
 N    5.657900      0.5316000      0.1005000    
 N   -3.286300      0.4148000      0.2879000    
 N   0.8069000      -2.191900     -0.4852000    
 C  -0.5820000      0.4124000     -0.3123000    
 C   -1.246500     -0.8000000     -0.1019000    
 C    1.811300      0.5468000      0.3803000    
 C    3.204300      0.4999000     -0.2466000    
 C   -1.271000       1.626000     -0.2223000    
 C   -2.617900     -0.7514000      0.2000000    
 C    4.358100      0.5312000      0.7606000    
 C   -2.641500       1.579800      8.4299996E-02
 C  -0.5790000      -2.034500     -0.1860000    
 C   -3.285000      -1.955300      0.4105000    
 C  -0.6285000       2.859200     -0.4290000    
 C   -1.268900      -3.223700      2.8800000E-02
 C   -2.624800      -3.183700      0.3275000    
 C   -3.333000       2.784900      0.1753000    
 C   -4.746500      -1.963100      0.7361000    
 C   -1.342500       4.049800     -0.3321000    
 C   -2.697600       4.012200     -2.9400000E-02
 C    6.052600     -0.8309000     -0.2620000    
 C    6.673200       1.142100      0.9606000    
 H    1.722000       1.525300      0.8718000    
 H    1.694800     -0.1565000       1.206200    
 H    3.309900       1.347300     -0.9382000    
 H    3.280200     -0.4015000     -0.8658000    
 H    1.004300      0.9292000      -1.502700    
 H    4.265500     -0.2926000       1.480500    
 H    4.235100       1.456000       1.340800    
 H   0.4274000       2.934900     -0.6733000    
 H  -0.7695000      -4.187700     -3.2000002E-02
 H   -3.156600      -4.116700      0.4940000    
 H   -4.395600       2.781700      0.4113000    
 H   -4.932500      -1.415000       1.665800    
 H   -5.320100      -1.502900     -7.5499997E-02
 H   -5.131900      -2.979300      0.8731000    
 H  -0.8445000       5.000900     -0.4935000    
 H   -3.264200       4.935400      4.8099998E-02
 H    5.337400      -1.284100     -0.9557000    
 H    6.145400      -1.483600      0.6140000    
 H    7.017600     -0.8214000     -0.7819000    
 H    6.419500       2.185700       1.178000    
 H    7.646100       1.157900      0.4564000    
 H    6.785300      0.6069000       1.910600    


%chk=000146928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146928

0 1
O 1.287522 -0.877836 -1.775238
O 2.060894 -2.489254 -0.348709
N 0.822306 1.373020 -0.002448
N 5.667598 0.072013 0.426050
N -3.293523 0.393547 0.217396
N 1.146342 -1.652042 -0.745899
C -0.479198 0.954039 -0.163008
C -0.935728 -0.403009 0.038748
C 1.888746 0.780412 0.833544
C 3.259299 0.746323 0.124088
C -1.487545 1.942253 -0.508972
C -2.355250 -0.588873 0.346118
C 4.295086 -0.016927 0.976862
C -2.881387 1.601984 -0.293462
C -0.129770 -1.599426 -0.006428
C -2.828990 -1.877819 0.838236
C -1.171112 3.247523 -1.009595
C -0.599763 -2.832733 0.450235
C -1.937118 -2.950455 0.922491
C -3.889032 2.586570 -0.574822
C -4.282875 -2.025266 1.213384
C -2.174026 4.177899 -1.291794
C -3.547937 3.845682 -1.064747
C 5.816250 -0.620855 -0.873151
C 6.681247 -0.380130 1.402007
H 1.971588 1.382852 1.764307
H 1.591113 -0.230165 1.151397
H 3.633333 1.776016 -0.044385
H 3.132942 0.266920 -0.861482
H 1.007547 2.343336 -0.263141
H 3.957712 -1.082488 1.077179
H 4.320608 0.418969 1.996230
H -0.133865 3.527906 -1.234019
H 0.054490 -3.705762 0.377577
H -2.290677 -3.920523 1.287310
H -4.928566 2.296342 -0.394741
H -4.582654 -1.238905 1.928255
H -4.928827 -1.880933 0.328489
H -4.484395 -3.018768 1.648402
H -1.910089 5.160789 -1.696175
H -4.327992 4.582888 -1.283651
H 5.144515 -0.177802 -1.626437
H 5.587218 -1.714130 -0.810887
H 6.853922 -0.501632 -1.232240
H 6.594250 0.210609 2.331794
H 7.692484 -0.218408 0.987409
H 6.588905 -1.463651 1.669923


