%chk=000296199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296199

0 1
O 4.605375 0.635574 0.745495
O 2.777009 -2.125523 0.345748
O 0.550288 -2.308968 0.493293
O 4.723418 -0.082650 -1.406717
N 0.374590 0.585860 -0.292882
N 2.157496 1.913584 -0.781190
C 1.541122 -0.201954 -0.138872
C 2.618400 0.649993 -0.449803
C -0.963561 0.132242 -0.079848
C 0.803404 1.863962 -0.684807
C -2.039245 0.904306 -0.308709
C -3.413586 0.432830 -0.086137
C 1.512617 -1.607724 0.255891
C 4.073713 0.342160 -0.486237
C -4.384569 1.348085 0.360385
C -3.777091 -0.903886 -0.321030
C -5.696626 0.924344 0.578536
C -5.093918 -1.318786 -0.104912
C -6.054175 -0.408530 0.346327
C 6.036054 0.415855 0.894991
H -1.032674 -0.909074 0.291852
H 0.137852 2.695597 -0.880512
H -1.957785 1.934484 -0.666172
H -4.113559 2.386329 0.544475
H -3.037710 -1.619629 -0.679692
H -6.444526 1.634254 0.930036
H -5.370894 -2.356479 -0.289168
H -7.078934 -0.735316 0.515908
H 2.767940 -3.093066 0.601348
H 6.579860 1.058319 0.195017
H 6.267003 -0.639085 0.718293
H 6.208211 0.706992 1.936894


%chk=000296199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296199

0 1
O 4.833543 1.042281 0.578824
O 2.664518 -2.313948 0.680415
O 0.498401 -2.576607 -0.118038
O 4.592683 -0.719168 -0.930689
N 0.388609 0.438401 -0.188859
N 2.192375 1.827923 -0.299387
C 1.543253 -0.375634 -0.066387
C 2.639238 0.512083 -0.138335
C -0.965644 -0.008220 -0.154749
C 0.848499 1.748794 -0.325635
C -2.029874 0.817641 0.060899
C -3.442569 0.405415 0.059297
C 1.479590 -1.826235 0.137310
C 4.089176 0.181119 -0.220264
C -4.434567 1.382518 0.360653
C -3.871595 -0.924831 -0.225093
C -5.804459 1.047624 0.383790
C -5.239028 -1.258512 -0.199962
C -6.213802 -0.276190 0.104298
C 6.303277 0.860668 0.502001
H -1.061275 -1.083541 -0.318127
H 0.184056 2.595452 -0.470926
H -1.853108 1.882015 0.270777
H -4.123404 2.411563 0.580671
H -3.138225 -1.701364 -0.468563
H -6.549741 1.815344 0.618632
H -5.550285 -2.285656 -0.420065
H -7.276573 -0.541036 0.120574
H 2.628086 -3.307489 0.710059
H 6.654194 1.035961 -0.528958
H 6.578509 -0.162199 0.809810
H 6.711639 1.609931 1.193826


