%chk=000186171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186171

0 1
O -2.355139 1.774024 -0.258101
O 0.135571 1.428383 -0.121391
O -6.052203 0.246655 -0.089160
O -4.793959 1.983980 -0.360033
N 1.115817 -0.624984 0.167666
N -4.961297 0.798944 -0.160292
C 2.489437 -0.193580 0.078881
C 3.477710 -1.137040 -0.299986
C 5.182870 0.591485 -0.032877
C 4.814298 -0.727007 -0.343616
C 2.852762 1.127375 0.384349
C -1.340881 -0.401318 0.121309
C 4.190752 1.514872 0.326641
C 0.008863 0.204674 0.044269
C 3.127065 -2.547282 -0.653267
C -2.462698 0.470937 -0.046578
C -1.578559 -1.761193 0.349945
C -3.783407 -0.061447 0.012261
C 6.615424 1.006854 -0.104917
C -2.874511 -2.276851 0.410002
C -3.971633 -1.432261 0.241007
H 5.583792 -1.442773 -0.630138
H 2.086292 1.861237 0.656649
H 0.976381 -1.629500 0.289305
H 4.459473 2.543990 0.561340
H 2.372557 -2.590789 -1.451775
H 3.997928 -3.107161 -1.026817
H 2.753670 -3.105139 0.215936
H -0.735421 -2.445159 0.487352
H 6.836711 1.864591 0.544744
H 7.299608 0.199343 0.188400
H 6.882799 1.302688 -1.131060
H -3.032219 -3.339651 0.589805
H -4.997345 -1.826795 0.285057
H -1.343309 2.116097 -0.286611


%chk=000186171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186171

0 1
O -2.408845 1.865321 0.191723
O 0.053803 1.614533 0.199416
O -6.103416 0.143773 0.604103
O -5.057806 1.849894 -0.493452
N 1.105586 -0.455984 -0.048660
N -5.058095 0.692473 0.064877
C 2.482702 -0.069573 -0.046721
C 3.447885 -1.116075 -0.190772
C 5.262953 0.570969 -0.054756
C 4.816199 -0.768468 -0.189817
C 2.904816 1.276870 0.092905
C -1.356129 -0.343529 0.055614
C 4.280770 1.580779 0.089738
C -0.020012 0.324156 0.075206
C 3.025745 -2.570463 -0.336904
C -2.523138 0.515948 0.092067
C -1.533942 -1.749819 0.017681
C -3.811695 -0.106552 0.066825
C 6.742697 0.907611 -0.087791
C -2.814343 -2.334044 0.016668
C -3.954929 -1.506303 0.048837
H 5.558773 -1.569276 -0.297178
H 2.156207 2.061856 0.203210
H 0.948856 -1.456926 -0.170280
H 4.592159 2.625870 0.202316
H 2.405833 -2.740470 -1.240943
H 3.909477 -3.221558 -0.434254
H 2.458225 -2.934890 0.543801
H -0.670016 -2.425853 0.005457
H 6.958560 1.833283 0.473483
H 7.354500 0.095736 0.343822
H 7.092690 1.064932 -1.126789
H -2.925335 -3.421371 -0.006309
H -4.965662 -1.923137 0.064220
H -1.377872 2.076484 0.230958


