%chk=000299863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299863

0 1
O 4.018254 -3.238338 0.998197
O 4.157022 3.342380 -0.674274
O -3.627534 1.701820 1.051858
O -3.712929 -1.733293 -0.896668
N 2.623522 -0.004489 -0.264824
N -1.537136 2.433173 0.292645
N -1.563275 -2.466461 -0.327102
N -3.335157 3.947134 0.671922
N -3.384355 -3.981299 -0.566414
C 1.216081 -0.017199 -0.127630
C 3.382500 -1.274206 -0.273749
C 3.399105 1.191338 0.146097
C 0.503103 -1.227308 -0.268018
C 0.517960 1.191745 0.079374
C 3.496994 -1.911933 1.126237
C 3.629952 2.079452 -1.094818
C -0.888940 1.171528 0.129748
C -0.903516 -1.205245 -0.215168
C -1.615268 -0.016533 -0.013937
C -2.897436 2.597845 0.680318
C -2.951465 -2.630742 -0.599017
H 2.882998 -1.997288 -0.965317
H 4.388804 -1.093328 -0.708642
H 2.864458 1.783600 0.927254
H 4.368311 0.902703 0.602505
H 1.028098 -2.160899 -0.436877
H 1.053458 2.127159 0.196323
H 2.502128 -2.077533 1.588286
H 4.123133 -1.321551 1.814004
H 4.300150 1.608549 -1.831476
H 2.677221 2.354000 -1.590417
H -2.713690 -0.016017 0.029254
H -0.934319 3.258382 0.254937
H -0.958795 -3.291054 -0.348761
H 4.961403 -3.217408 0.743272
H 5.084467 3.253335 -0.382671
H -2.925675 4.620989 0.045252
H -4.330667 4.079897 0.818732
H -2.921333 -4.660299 0.015781
H -4.388533 -4.115307 -0.628716


%chk=000299863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299863

0 1
O 4.132108 -3.392038 0.816671
O 4.141137 3.382381 -0.817783
O -3.878027 1.904932 0.504973
O -3.883724 -1.894182 -0.499966
N 2.604014 -0.003075 -0.001760
N -1.583622 2.469010 0.319863
N -1.590487 -2.464188 -0.318894
N -3.216718 4.135374 0.532240
N -3.228150 -4.126281 -0.529658
C 1.189047 -0.001269 -0.000943
C 3.360850 -1.245868 -0.206421
C 3.364111 1.237581 0.203817
C 0.453906 -1.208913 -0.159155
C 0.457298 1.208318 0.158014
C 3.521432 -2.082168 1.090316
C 3.526802 2.074427 -1.092312
C -0.961502 1.198731 0.162157
C -0.964865 -1.195566 -0.161763
C -1.700965 0.002562 0.000601
C -2.952315 2.762011 0.451708
C -2.960112 -2.753650 -0.448709
H 2.880116 -1.878133 -0.976265
H 4.363818 -0.989449 -0.601955
H 2.885072 1.870556 0.974156
H 4.366461 0.978251 0.599046
H 0.970437 -2.167076 -0.276476
H 0.976526 2.165100 0.274680
H 2.533700 -2.316282 1.516934
H 4.099720 -1.511215 1.847320
H 4.103383 1.502437 -1.849839
H 2.539652 2.311598 -1.518581
H -2.790023 0.003995 0.001312
H -0.934906 3.255953 0.379726
H -0.943875 -3.252805 -0.379489
H 5.076584 -3.266661 0.546625
H 5.084956 3.254042 -0.546826
H -2.520824 4.867068 0.404838
H -4.192929 4.397493 0.641924
H -2.533778 -4.859853 -0.404796
H -4.205208 -4.385849 -0.637830


