%chk=000124498.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124498

0 1
 O  -0.7705000      0.6901000       1.153400    
 O    1.256200     -0.7729000      -2.073300    
 O    6.532800     -0.1755000       1.537800    
 N   0.6935000       1.391900     -0.5006000    
 N   -3.631500       3.579300      0.1627000    
 N    3.339500     -0.9993000      -1.110400    
 N    4.186900      0.4994000      0.5146000    
 N   -5.127500      -1.512500      0.4198000    
 N    5.379800      -1.383200     -8.8399999E-02
 N   -7.132300      -2.650400     -0.2553000    
 N   -5.140500      -3.754800     -0.1654000    
 N    7.405900      -2.121500      0.6827000    
 C   -2.924100       2.315900      0.3965000    
 C    1.784100      0.5427000     -0.1024000    
 C   -1.597700       2.341900     -0.3827000    
 C   -3.853900       1.135800      3.9299998E-02
 C  -0.5322000       1.401500      0.1744000    
 C   -4.970500      0.8494000       1.054400    
 C    3.028300       1.354300      0.2290000    
 C    2.076400     -0.4379000      -1.222900    
 C   0.9543000       2.243000      -1.658400    
 C   -5.893100     -0.2772000      0.5962000    
 C    4.284600     -0.5676000     -0.2008000    
 C   -5.787000      -2.556200      2.3900000E-02
 C    6.438500      -1.136200      0.7759000    
 H   -2.700800       2.266300       1.469600    
 H    1.498000     -5.6499999E-02  0.7709000    
 H   -1.167000       3.351100     -0.3504000    
 H   -1.799200       2.086300      -1.428700    
 H   -3.236800      0.2339000     -5.7300001E-02
 H   -4.294600       1.304400     -0.9526000    
 H   -5.574300       1.749100       1.215100    
 H   -4.518500      0.5859000       2.018400    
 H    2.830700       1.972800       1.112700    
 H    3.317100       2.045900     -0.5705000    
 H    1.815100       1.907300      -2.243000    
 H   9.3500003E-02   2.259300      -2.330200    
 H    1.139700       3.260500      -1.300500    
 H   -4.471200       3.619700      0.7379000    
 H   -3.048100       4.360600      0.4598000    
 H   -6.671100     -0.4180000       1.356100    
 H   -6.374600      1.5000000E-02 -0.3450000    
 H    3.585500      -1.753400      -1.744600    
 H    5.419300      -2.216200     -0.6681000    
 H   -7.542200      -3.526500     -0.5606000    
 H   -7.759900      -1.859300     -0.1673000    
 H   -5.637800      -4.582600     -0.4752000    
 H   -4.143800      -3.844000     -3.9999999E-04
 H    8.245900      -2.087500       1.250500    
 H    7.309000      -2.906400      4.7300000E-02


%chk=000124498-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124498

0 1
O -0.666305 0.913665 1.279755
O 1.199839 -0.557667 -2.338162
O 6.971423 -0.318374 -0.036221
N 0.596764 1.607444 -0.542938
N -3.759175 3.731601 0.405235
N 3.154217 -1.023503 -1.170210
N 3.966749 0.263214 0.706463
N -4.851456 -1.486573 0.275428
N 5.072113 -1.732000 0.031670
N -6.635323 -3.008420 -0.374853
N -4.527721 -3.814979 0.278199
N 7.141339 -2.477767 0.839953
C -2.971998 2.482477 0.589103
C 1.616707 0.616110 -0.180284
C -1.626090 2.673101 -0.150752
C -3.756978 1.280217 0.017955
C -0.555276 1.658975 0.252654
C -5.029462 0.917200 0.813701
C 2.920332 1.261082 0.382472
C 1.931889 -0.347472 -1.335347
C 0.774545 2.409295 -1.769505
C -5.750515 -0.317057 0.226849
C 4.055007 -0.757185 -0.091383
C -5.335787 -2.684523 0.056734
C 6.440281 -1.411902 0.277028
H -2.746282 2.262406 1.657631
H 1.158308 0.017477 0.638338
H -1.234624 3.690703 0.062923
H -1.815757 2.644063 -1.239898
H -3.108535 0.386561 0.014382
H -4.028396 1.508199 -1.034620
H -5.751209 1.761801 0.823772
H -4.754615 0.698961 1.864232
H 2.669698 1.809694 1.304714
H 3.340591 1.996782 -0.336030
H 0.267674 1.943972 -2.633724
H 0.393865 3.433180 -1.625202
H 1.849673 2.483244 -2.005998
H -4.753752 3.618702 0.626467
H -3.362084 4.544556 0.890564
H -6.696948 -0.489535 0.796139
H -6.043611 -0.079619 -0.824311
H 3.435731 -1.657207 -1.925303
H 4.801650 -2.715580 -0.034458
H -7.033872 -3.919874 -0.160326
H -7.268370 -2.260253 -0.641840
H -4.605490 -4.606891 -0.359737
H -3.598805 -3.595939 0.637241
H 8.143911 -2.351145 0.962111
H 6.680029 -3.233520 1.343290


