%chk=000121541.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121541

0 1
 O   -5.232400      -1.332600      3.6400001E-02
 O   -5.149700      0.8228000     -0.7524000    
 N   0.1386000       2.842900     -0.2849000    
 N    4.942300     -0.7881000     -0.2228000    
 N   -3.774600      8.6800002E-02  0.9632000    
 C   0.4219000      0.3440000     -0.1944000    
 C    1.100300       1.763100      4.8400000E-02
 C  -0.8709000      0.2301000      0.6246000    
 C   -1.803000       1.406900      0.3284000    
 C    2.463600       1.913000     -0.7308000    
 C   -1.077400       2.739900      0.5415000    
 C    1.403000     -0.7853000      7.3700003E-02
 C    2.760600     -0.5003000     -0.1195000    
 C    3.337700      0.7293000     -0.4935000    
 C   -3.057700       1.330100       1.197900    
 C    3.759300      -1.441000      4.7499999E-02
 C   0.7093000       4.183700     -0.1250000    
 C    1.096200      -2.107400      0.4215000    
 C    4.696800      0.5286000     -0.5551000    
 C    3.466100      -2.753100      0.4160000    
 C    2.109000      -3.064600      0.5954000    
 C    6.259800      -1.384200     -0.1729000    
 C   -4.754200     -5.2700002E-02  1.0200000E-02
 C   -6.266400      -1.632200     -0.9079000    
 C   -6.678300      -3.079900     -0.7453000    
 H   0.1588000      0.2750000      -1.260600    
 H    1.345800       1.829600       1.120900    
 H   -1.377800     -0.7100000      0.3789000    
 H  -0.6334000      0.1942000       1.696300    
 H   -2.107200       1.343500     -0.7263000    
 H    2.997000       2.811500     -0.4009000    
 H    2.270100       2.005900      -1.806500    
 H   -1.769900       3.547300      0.2699000    
 H  -0.8323000       2.871500       1.604400    
 H   -3.728000       2.169100      0.9802000    
 H   -2.805800       1.361600       2.263500    
 H  -5.0000001E-02   4.953600     -0.3072000    
 H    1.494800       4.372200     -0.8631000    
 H    1.119000       4.340200      0.8792000    
 H   6.4999998E-02  -2.419600      0.5599000    
 H    5.506400       1.202400     -0.8017000    
 H    4.237700      -3.502300      0.5502000    
 H    1.833800      -4.080300      0.8719000    
 H   -3.540400     -0.7195000       1.534500    
 H    7.012300     -0.6345000     -0.4303000    
 H    6.433400      -1.750900      0.8419000    
 H    6.293200      -2.205900     -0.8928000    
 H   -7.127400     -0.9796000     -0.7254000    
 H   -5.891900      -1.465700      -1.924000    
 H   -7.468900      -3.343500      -1.453400    
 H   -5.823000      -3.744300     -0.9067000    
 H   -7.038000      -3.266300      0.2720000    


%chk=000121541-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121541

0 1
O -5.478098 -1.356397 0.002595
O -5.461200 0.939965 -0.554812
N 0.173241 2.778108 -0.287608
N 5.152136 -0.719863 -0.165439
N -3.847432 -0.025773 0.860885
C 0.539660 0.309923 -0.213986
C 1.171387 1.724241 0.068383
C -0.789686 0.140847 0.555938
C -1.772556 1.286440 0.242955
C 2.511644 1.949345 -0.705193
C -1.080578 2.638996 0.495366
C 1.538011 -0.814548 0.071042
C 2.898550 -0.483692 -0.099222
C 3.447089 0.791012 -0.463862
C -3.068925 1.199065 1.086930
C 3.961212 -1.416653 0.085831
C 0.689471 4.161570 -0.184756
C 1.259532 -2.144573 0.447728
C 4.829895 0.622104 -0.494606
C 3.681238 -2.753807 0.455409
C 2.319293 -3.089373 0.632084
C 6.497137 -1.289934 -0.096389
C -4.960116 -0.043947 0.050430
C -6.701308 -1.519986 -0.829605
C -7.098912 -2.990289 -0.736550
H 0.304008 0.302464 -1.301101
H 1.407547 1.766808 1.167697
H -1.248268 -0.830948 0.290507
H -0.577243 0.117923 1.646680
H -2.049704 1.241896 -0.828747
H 2.977805 2.898493 -0.386104
H 2.265759 2.052886 -1.782551
H -1.759074 3.462106 0.200648
H -0.884784 2.748021 1.598026
H -3.731200 2.048290 0.840246
H -2.814563 1.263983 2.164220
H -0.131283 4.864088 -0.413954
H 1.489578 4.338820 -0.921103
H 1.084829 4.414382 0.832184
H 0.228347 -2.480367 0.602544
H 5.625133 1.331953 -0.718696
H 4.466448 -3.502972 0.603394
H 2.062594 -4.115654 0.920108
H -3.555984 -0.908477 1.280422
H 7.239943 -0.506334 -0.315991
H 6.706567 -1.693374 0.912136
H 6.624164 -2.105209 -0.833483
H -7.486960 -0.846557 -0.441078
H -6.468413 -1.212297 -1.865436
H -8.007065 -3.171819 -1.339996
H -6.292901 -3.640963 -1.117175
H -7.312768 -3.274924 0.308055


