%chk=000111334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111334

0 1
 I   -5.564900      -5.286900     -0.3433000    
 O    6.880500      -2.170600     -6.0000003E-04
 O    7.242100     -2.5800001E-02  0.2964000    
 N   0.9437000     -7.7999998E-03 -0.2730000    
 N   0.4533000       1.243600     -0.1740000    
 N   -1.671600      0.2750000     -0.4769000    
 N    6.463900     -0.9918000      0.1072000    
 N   -2.003100     -0.2230000      0.6228000    
 C    2.320700     -0.2533000     -0.1784000    
 C   -1.483900       2.695100     -0.1444000    
 C    2.815000      -1.557100     -0.2938000    
 C    3.213500      0.8032000      3.2699998E-02
 C  -0.8553000       1.389900     -0.2738000    
 C    5.069300     -0.7435000      1.1500000E-02
 C    4.185000      -1.801500     -0.1993000    
 C    4.583500      0.5588000      0.1273000    
 C  -0.7026000       3.826500      9.0300001E-02
 C   -2.869100       2.815200     -0.2567000    
 C   -1.306400       5.077900      0.2127000    
 C   -3.472800       4.066700     -0.1343000    
 C   -2.691500       5.198100      0.1003000    
 C   -2.801600      -1.358300      0.4057000    
 C   -2.205200      -2.609900      0.2835000    
 C   -4.183900      -1.224200      0.3146000    
 C   -2.998000      -3.737100      6.8099998E-02
 C   -4.976800      -2.351400      9.9299997E-02
 C   -4.383900      -3.607800     -2.4100000E-02
 H    2.136500      -2.390900     -0.4577000    
 H    2.870000       1.830100      0.1281000    
 H    4.527500      -2.828800     -0.2945000    
 H    5.242900       1.407300      0.2917000    
 H   0.3185000     -0.7902000     -0.4274000    
 H   0.3785000       3.765100      0.1824000    
 H   -3.511800       1.961400     -0.4485000    
 H  -0.6983000       5.959200      0.3952000    
 H   -4.551100       4.161000     -0.2238000    
 H   -3.161500       6.172600      0.1949000    
 H   -1.126500      -2.720400      0.3555000    
 H   -4.655100     -0.2499000      0.4118000    
 H   -2.515500      -4.706900     -2.4599999E-02
 H   -6.054800      -2.228300      3.1500001E-02


%chk=000111334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111334

0 1
I -5.738555 -5.709168 -0.037452
O 7.153752 -1.847804 -1.140954
O 7.430630 0.420228 -1.089697
N 1.122597 -0.019470 -0.146400
N 0.536897 1.193882 0.007626
N -1.448667 -0.028168 0.103395
N 6.693549 -0.642506 -1.021702
N -2.735193 -0.087038 0.375529
C 2.497763 -0.143115 -0.365354
C -1.414204 2.559280 0.414002
C 3.047986 -1.451322 -0.500070
C 3.342323 1.001234 -0.451545
C -0.807620 1.222532 0.176997
C 5.249659 -0.471401 -0.795739
C 4.423143 -1.617365 -0.715370
C 4.717068 0.834728 -0.665386
C -0.582080 3.607283 0.905921
C -2.780699 2.847824 0.139122
C -1.097876 4.900657 1.114454
C -3.289937 4.148509 0.344269
C -2.456816 5.179733 0.833006
C -3.315838 -1.382128 0.247758
C -4.654755 -1.486707 0.715666
C -2.679728 -2.525860 -0.318100
C -5.347689 -2.711101 0.643948
C -3.367690 -3.748607 -0.400121
C -4.697360 -3.836823 0.086515
H 2.395439 -2.329470 -0.431948
H 2.898843 1.994364 -0.353844
H 4.871750 -2.608288 -0.821337
H 5.390770 1.692535 -0.737095
H 0.501937 -0.847280 -0.128152
H 0.468319 3.389133 1.121012
H -3.437718 2.055940 -0.223478
H -0.443511 5.690517 1.499537
H -4.342945 4.354678 0.122565
H -2.859304 6.185719 0.995591
H -5.128838 -0.596175 1.140463
H -1.658991 -2.437967 -0.701070
H -6.374208 -2.785133 1.012778
H -2.883005 -4.624580 -0.840939


