%chk=000214666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214666

0 1
S 0.271899 0.207948 -0.767318
O 0.076369 1.593174 -1.084024
O 0.011111 -0.815568 -1.737850
N 1.812173 -0.022135 -0.074073
N -0.782470 -0.134035 0.598317
N -2.010197 -0.124691 0.692824
N -3.118063 -0.157755 0.930389
C 2.120754 -1.423008 0.308469
C 2.185510 0.974733 0.960743
H 1.598926 -1.769761 1.216317
H 3.208310 -1.519144 0.481246
H 1.869705 -2.104604 -0.528012
H 1.667698 0.841331 1.925527
H 1.982683 1.997621 0.586838
H 3.273691 0.913895 1.145307


%chk=000214666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214666

0 1
S 0.256998 0.225554 -0.797143
O 0.096196 1.789053 -1.166341
O 0.003155 -0.934163 -1.891645
N 1.917791 -0.029852 -0.050495
N -0.867147 -0.210498 0.980236
N -2.118522 -0.157564 0.790845
N -3.309832 -0.129035 0.697019
C 2.162795 -1.444824 0.309501
C 2.240504 0.991244 0.971962
H 1.672653 -1.739221 1.258761
H 3.256866 -1.561149 0.410667
H 1.817488 -2.096518 -0.508704
H 1.749799 0.795767 1.946141
H 1.952047 1.987150 0.600003
H 3.337305 0.972056 1.103893