%chk=000108517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108517

0 1
 O    2.122200     -0.8682000      -1.562900    
 N   9.8999999E-02  0.6026000     -0.2679000    
 N  -0.7001000       1.756400      4.0000002E-03
 C    1.516700      0.8432000      7.4100003E-02
 C    2.257600     -0.4980000     -0.1813000    
 C  -8.0899999E-02  0.1709000      -1.656100    
 C   0.7526000      -1.083300      -1.909200    
 C   -2.093500       1.397700     -0.2049000    
 C    2.169500       2.018500     -0.6829000    
 C    3.718200     -0.4737000      0.2308000    
 C   -2.445900      0.1755000      0.6627000    
 C   -2.957800       2.615900      0.1208000    
 C    4.694000     -8.2699999E-02 -0.6854000    
 C    4.083000     -0.8418000       1.525400    
 C   -3.867400     -0.3018000      0.4861000    
 C    6.036300     -5.9999999E-02 -0.3067000    
 C    5.425200     -0.8191000       1.904000    
 C   -4.864000      0.2187000       1.296200    
 C   -4.149500      -1.251200     -0.4832000    
 C    6.401900     -0.4281000      0.9879000    
 C   -6.177300     -0.2221000       1.133000    
 C   -5.462900      -1.691900     -0.6464000    
 C   -6.476700      -1.177200      0.1618000    
 H    1.579600       1.065700       1.148400    
 H    1.779700      -1.294400      0.4093000    
 H   0.2137000      0.9607000      -2.358200    
 H   -1.100800     -0.1320000      -1.906300    
 H   0.3673000      -1.941800      -1.345200    
 H   0.7175000      -1.346300      -2.971400    
 H  -0.5644000       2.036000      0.9758000    
 H   -2.321100       1.205100      -1.258600    
 H    1.581000       2.936300     -0.5801000    
 H    3.157700       2.245700     -0.2705000    
 H    2.287400       1.814700      -1.751700    
 H   -2.283200      0.4095000       1.724900    
 H   -1.800800     -0.6896000      0.4640000    
 H   -2.612400       3.497100     -0.4333000    
 H   -2.926600       2.861200       1.188400    
 H   -4.002200       2.458800     -0.1664000    
 H    4.433200      0.2113000      -1.698200    
 H    3.331500      -1.145600       2.249200    
 H    6.796800      0.2453000      -1.019500    
 H    5.710100      -1.104900       2.912400    
 H   -4.642400      0.9593000       2.059200    
 H   -3.367300      -1.655800      -1.119000    
 H    7.447000     -0.4100000       1.283000    
 H   -6.966500      0.1777000       1.762900    
 H   -5.696300      -2.435000      -1.403100    
 H   -7.499300      -1.520400      3.4600001E-02


%chk=000108517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108517

0 1
O 2.611309 -0.205999 -2.213531
N 0.068941 0.911013 -1.483261
N -0.966978 1.869661 -1.193430
C 1.183523 0.845346 -0.473124
C 2.060926 -0.391180 -0.859196
C 0.581525 1.073705 -2.871325
C 1.515451 -0.104630 -3.194336
C -2.242988 1.309392 -0.681674
C 2.025926 2.140331 -0.344340
C 3.208751 -0.644327 0.104495
C -2.088809 0.422203 0.603616
C -3.215712 2.484360 -0.467715
C 4.549691 -0.365104 -0.253119
C 2.931116 -1.159970 1.395810
C -3.365441 -0.309908 0.979294
C 5.595320 -0.591390 0.670824
C 3.975057 -1.382331 2.320727
C -4.162837 0.098305 2.080143
C -3.806121 -1.416865 0.204653
C 5.313186 -1.096254 1.961176
C -5.363910 -0.576044 2.399094
C -5.006450 -2.092117 0.517182
C -5.791895 -1.673654 1.617066
H 0.713350 0.625334 0.503366
H 1.375730 -1.269408 -0.872122
H 1.118070 2.038181 -3.016714
H -0.286709 1.066477 -3.552135
H 0.934217 -1.051556 -3.193372
H 2.006546 0.028906 -4.172382
H -0.638713 2.692676 -0.660825
H -2.642939 0.653756 -1.479870
H 1.384728 3.032714 -0.211975
H 2.687396 2.076933 0.536734
H 2.661563 2.296122 -1.232720
H -1.747344 1.063471 1.440947
H -1.290461 -0.311567 0.382200
H -3.343660 3.052790 -1.405090
H -2.836747 3.178251 0.309672
H -4.201039 2.116106 -0.136501
H 4.758965 0.010428 -1.258647
H 1.897681 -1.400593 1.678021
H 6.630744 -0.376919 0.382080
H 3.747332 -1.784975 3.314265
H -3.836805 0.947942 2.693429
H -3.195859 -1.755951 -0.642343
H 6.125366 -1.272323 2.675560
H -5.962693 -0.247762 3.256638
H -5.327193 -2.946218 -0.090513
H -6.721707 -2.198458 1.863769


