%chk=000276790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276790

0 1
S 5.219879 1.113678 -0.573148
O 4.960791 2.534389 -0.445329
O 6.350718 0.499939 0.099409
N 0.358497 -2.099995 0.556928
N 5.497906 0.851103 -2.254040
N -1.379233 -0.510132 0.336790
N -1.849401 -2.874749 0.844008
N -3.782304 -0.841648 0.319327
N -2.748760 1.325731 -0.127348
N -6.115364 -1.144566 0.193972
N -4.055926 3.232550 -0.496338
C 3.796241 0.221100 -0.232395
C 1.469401 -1.243280 0.306165
C 3.890230 -1.103351 0.213392
C 2.534932 0.810429 -0.389002
C 2.743821 -1.841454 0.485212
C 1.372524 0.090710 -0.124805
C -1.025586 -1.767802 0.545486
C -2.679451 -0.008186 0.176871
C -5.026184 -0.276246 0.131584
C -4.015518 1.866482 -0.273824
C -5.191950 1.092404 -0.161980
H 4.875835 -1.562301 0.360041
H 2.454227 1.855682 -0.713136
H 2.837747 -2.866571 0.833462
H 0.394198 0.582850 -0.242091
H 0.594826 -3.017471 0.951610
H 6.325595 0.325130 -2.523435
H 5.388150 1.641413 -2.884846
H -6.169522 1.528612 -0.295999
H -2.863713 -2.720616 0.771596
H -1.562944 -3.804695 0.578793
H -5.971502 -2.070409 0.569369
H -7.033572 -0.758459 0.339799
H -3.191224 3.730115 -0.661297
H -4.899966 3.665913 -0.823502


%chk=000276790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276790

0 1
S 5.413406 1.090144 -0.512141
O 5.084111 2.682653 -0.393543
O 6.602461 0.369065 0.338381
N 0.289377 -2.022015 0.448494
N 5.836694 0.710490 -2.273418
N -1.411880 -0.418174 0.105611
N -1.956436 -2.674935 0.721233
N -3.783380 -0.841960 0.325025
N -2.879201 1.344334 -0.270220
N -6.084852 -1.215889 0.527992
N -4.264320 3.167495 -0.660249
C 3.820272 0.153017 -0.235476
C 1.441768 -1.238967 0.207634
C 3.901731 -1.207941 0.104708
C 2.602292 0.842098 -0.350729
C 2.700444 -1.901192 0.328069
C 1.398805 0.144488 -0.128425
C -1.068816 -1.664418 0.416811
C -2.729419 0.025456 0.055699
C -5.057044 -0.330415 0.256115
C -4.160398 1.831109 -0.330769
C -5.302862 1.024045 -0.073732
H 4.873341 -1.699663 0.210749
H 2.592785 1.910950 -0.587201
H 2.737306 -2.963927 0.599741
H 0.421281 0.627005 -0.203571
H 0.479384 -2.997782 0.683927
H 6.851193 0.508630 -2.297441
H 5.576634 1.524159 -2.856422
H -6.318876 1.424879 -0.126043
H -2.954092 -2.344750 0.679547
H -1.672888 -3.619718 0.973759
H -5.857991 -2.178812 0.760843
H -7.055798 -0.920051 0.501824
H -3.400064 3.679388 -0.825163
H -5.161568 3.637502 -0.730323


