%chk=000179647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179647

0 1
O 0.674723 0.635395 -0.022603
O -1.166051 -0.616358 0.194410
O 2.986588 -2.652538 -0.563330
O 4.224760 -0.060785 0.005238
O 0.622711 -2.813079 1.241264
O 1.677085 3.272111 -0.065276
O -1.028709 2.178371 -1.290765
N -3.455357 -0.357652 2.628982
C 2.403410 -1.642664 0.270223
C 2.873166 -0.323061 -0.385566
C 0.866972 -1.802452 0.256405
C 2.087555 0.892897 0.150693
C 0.159511 -0.502730 0.701839
C 2.331870 2.166366 -0.678251
C -2.067041 0.473703 0.563821
C -2.893515 0.716876 -0.680537
C -2.390536 1.836782 -1.562552
C -2.851255 0.010469 1.717790
C -3.974102 0.000938 -0.989557
H 2.798557 -1.753157 1.308089
H 2.820876 -0.411700 -1.495438
H 0.497012 -2.139424 -0.739585
H 2.294936 1.073219 1.229539
H 0.187399 -0.304912 1.789488
H 1.990397 2.052902 -1.722195
H 3.408298 2.439632 -0.651569
H 2.806087 -3.544542 -0.182810
H 4.806564 -0.795880 -0.306927
H -0.319827 -3.100882 1.206928
H -1.468436 1.389932 0.835256
H 0.693740 3.180500 -0.177618
H -2.931882 2.784683 -1.358112
H -2.484485 1.585041 -2.636881
H -4.358100 -0.804274 -0.374128
H -4.562795 0.161378 -1.883798
H -0.445725 1.371793 -1.381967


%chk=000179647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179647

0 1
O 0.686595 0.572064 -0.354877
O -1.198240 -0.774332 -0.008320
O 3.308897 -2.638396 -0.020008
O 4.334219 0.032868 0.052776
O 0.613375 -2.935965 0.979141
O 1.697351 3.362767 -0.459914
O -1.154022 2.368936 -0.832341
N -3.633890 -1.272284 2.346136
C 2.456455 -1.525755 0.403517
C 2.970413 -0.289652 -0.357166
C 0.973689 -1.810787 0.115455
C 2.098124 0.940636 -0.040117
C 0.149031 -0.555640 0.437525
C 2.425899 2.174893 -0.892266
C -2.231993 0.158029 0.585416
C -3.049052 0.784292 -0.537900
C -2.232581 1.644677 -1.507207
C -3.020351 -0.621053 1.557976
C -4.388936 0.613431 -0.650917
H 2.570742 -1.353222 1.497077
H 2.926276 -0.511660 -1.446132
H 0.824687 -2.055704 -0.956371
H 2.176969 1.202250 1.035263
H 0.195760 -0.300562 1.520847
H 2.245791 1.938524 -1.962696
H 3.494738 2.403859 -0.753201
H 2.994215 -3.459583 0.437682
H 4.867165 -0.801951 -0.013133
H -0.319985 -3.208038 0.788306
H -1.698708 0.974017 1.116683
H 0.758113 3.349535 -0.789970
H -2.885839 2.398927 -1.975233
H -1.816199 0.994831 -2.305794
H -4.958394 -0.031525 0.027337
H -4.956931 1.124254 -1.436845
H -0.408982 1.704218 -0.650228


