%chk=000202530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202530

0 1
O -1.880562 -2.561680 1.195695
N -4.584869 0.685339 -0.836575
N -1.515147 -0.306137 1.127208
C 1.244046 -1.139551 0.410540
C 0.401409 -1.835791 1.438834
C 1.874238 0.120174 0.708491
C -3.175646 0.204391 -0.662912
C -2.934271 0.017238 0.851861
C 2.651757 0.751306 -0.298305
C -1.092282 -1.631240 1.220502
C 1.403808 -1.712755 -0.832411
C 1.749537 0.764505 1.981137
C 2.798096 0.126523 -1.577302
C 2.189030 -1.075399 -1.833175
C 3.278559 2.008615 -0.018441
C -5.545828 -0.457661 -0.802711
C -4.728982 1.442041 -2.116234
C 2.359343 1.968967 2.224694
C 3.134242 2.602164 1.209578
H 0.599785 -2.933715 1.424213
H 0.666859 -1.524212 2.473289
H -2.471546 0.963905 -1.063547
H -2.957048 -0.741540 -1.202834
H -3.581205 -0.802440 1.247085
H -3.207481 0.943408 1.404807
H -0.846296 0.452204 1.024306
H 0.928479 -2.664858 -1.071078
H 1.165073 0.273352 2.761388
H 3.400604 0.622514 -2.336563
H 2.294093 -1.562427 -2.802313
H 3.871714 2.480130 -0.801078
H -5.442172 -1.175552 -1.629468
H -6.572387 -0.058327 -0.814627
H -5.423175 -1.010039 0.143624
H -4.078434 2.330516 -2.083097
H -5.765686 1.806941 -2.199720
H -4.492829 0.868911 -3.024357
H 2.264913 2.457962 3.193335
H 3.607262 3.558119 1.430062


%chk=000202530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202530

0 1
O -1.831145 -1.501869 1.943730
N -4.887631 0.609008 -1.099138
N -1.355504 -0.224210 0.054519
C 1.415402 -1.051714 0.135873
C 0.337631 -1.859613 0.838292
C 2.051666 0.069131 0.796719
C -3.618587 -0.146939 -1.004567
C -2.649709 0.473545 0.032509
C 3.083339 0.810739 0.096119
C -1.039988 -1.172029 1.007507
C 1.808369 -1.386275 -1.168438
C 1.700995 0.479057 2.127308
C 3.448387 0.428288 -1.237637
C 2.820466 -0.650084 -1.860292
C 3.721406 1.915761 0.751329
C -5.762629 0.425543 0.079193
C -5.609964 0.340275 -2.359577
C 2.339920 1.560512 2.739433
C 3.360300 2.285988 2.048019
H 0.152012 -2.797553 0.281219
H 0.645930 -2.161202 1.854455
H -3.133388 -0.119462 -1.999634
H -3.779021 -1.224169 -0.744576
H -3.068164 0.397691 1.050139
H -2.499333 1.540997 -0.209787
H -0.650666 0.005044 -0.650480
H 1.336530 -2.242132 -1.666711
H 0.918119 -0.059538 2.671246
H 4.229461 0.995650 -1.757599
H 3.102140 -0.944425 -2.877032
H 4.501817 2.467690 0.213658
H -6.100657 -0.633618 0.210790
H -6.658795 1.062459 -0.027349
H -5.241467 0.731816 1.001413
H -4.957731 0.569860 -3.221129
H -6.499244 0.993224 -2.422446
H -5.956303 -0.720220 -2.458829
H 2.059031 1.857426 3.755781
H 3.854003 3.131247 2.539871


