%chk=000277067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277067

0 1
O 4.544487 0.719233 0.279052
O 0.396060 3.672741 0.125192
O 3.349883 -2.932317 0.732208
O 4.468272 -2.046501 -0.895517
O -5.723041 -1.830811 -0.088446
O -5.983739 0.317602 -0.024947
N -1.350572 2.240958 0.068463
N 3.590970 -2.036496 -0.052620
N -5.298528 -0.690037 -0.049374
C 0.417853 0.011668 0.016072
C -1.032736 -0.192044 -0.000689
C 0.940392 1.323960 0.069819
C -1.892472 0.939484 0.026401
C 1.318862 -1.069792 -0.014421
C 0.042404 2.511725 0.092863
C 2.319179 1.552707 0.105756
C -1.612223 -1.475923 -0.039480
C 2.696848 -0.847132 -0.003792
C -3.295670 0.777652 0.010484
C 3.204717 0.467873 0.075678
C -3.817666 -0.510448 -0.030871
C -2.991297 -1.646446 -0.055215
C 5.354522 0.798790 -0.929798
H 0.939630 -2.099015 -0.038012
H -1.988987 3.044682 0.087547
H 2.712250 2.576082 0.171848
H -0.965867 -2.359230 -0.055276
H -3.968229 1.643084 0.030708
H -3.438879 -2.646327 -0.085192
H 5.014586 1.630917 -1.550196
H 5.329619 -0.158900 -1.465820
H 6.350970 0.989964 -0.509622


%chk=000277067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277067

0 1
O 4.666833 0.213866 -0.305179
O 0.680114 3.492150 -0.486887
O 3.001703 -3.408856 0.542234
O 4.600396 -2.452025 -0.774998
O -5.890644 -1.627389 0.336464
O -5.979065 0.643270 0.118161
N -1.180372 2.117171 -0.264885
N 3.494142 -2.411546 -0.122607
N -5.331864 -0.472604 0.195308
C 0.427142 -0.200506 -0.118139
C -1.033320 -0.319916 -0.032807
C 1.028428 1.088742 -0.271579
C -1.820501 0.877018 -0.111549
C 1.298168 -1.318617 -0.055404
C 0.202302 2.325973 -0.351266
C 2.426881 1.245870 -0.344729
C -1.716438 -1.558087 0.124088
C 2.687157 -1.164714 -0.155784
C -3.231175 0.826488 -0.036900
C 3.291855 0.131540 -0.286770
C -3.851696 -0.423317 0.117071
C -3.113932 -1.627769 0.200309
C 5.281636 1.552265 -0.392663
H 0.922543 -2.336179 0.074040
H -1.751318 2.966719 -0.321124
H 2.804005 2.267569 -0.445492
H -1.145318 -2.488043 0.189882
H -3.847843 1.728572 -0.095418
H -3.641897 -2.576097 0.320982
H 4.996182 2.175239 0.474872
H 4.995171 2.053607 -1.334825
H 6.362322 1.357310 -0.381604


