%chk=000264512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264512

0 1
S -1.276844 -1.598870 1.208269
O 0.665175 -2.308894 -2.650784
O -2.185033 -2.723860 1.173243
O -0.321325 -1.432438 2.276552
O 4.161105 2.080380 0.212533
O 2.491016 1.909902 1.574270
N -0.387219 -1.817037 -0.269232
N 3.098987 1.589205 0.565047
C -2.122830 -0.128396 0.963573
C 0.774005 -1.112044 -0.638185
C 1.343986 -1.344737 -1.945875
C -3.330475 -0.122881 0.254162
C -1.620404 1.071149 1.487486
C 1.394318 -0.173058 0.181886
C -3.517362 2.275233 0.570271
C -4.025032 1.069310 0.054978
C -2.308965 2.265910 1.291206
C 2.502951 0.553250 -0.302354
C 2.456070 -0.642089 -2.395717
C 3.041114 0.326659 -1.567200
C -4.249881 3.557550 0.367843
C 1.205773 -2.720776 -3.932132
H -0.625157 -2.614444 -0.882195
H -3.739681 -1.059921 -0.140100
H -0.684610 1.074003 2.062658
H 1.064531 -0.002238 1.218409
H -4.963346 1.064036 -0.496915
H -1.910061 3.194282 1.699415
H 2.880293 -0.824743 -3.380326
H 3.910724 0.896511 -1.909435
H -3.599617 4.331958 -0.067424
H -5.119197 3.459153 -0.296311
H -4.621710 3.956865 1.325001
H 2.213438 -3.128360 -3.807408
H 1.182408 -1.885258 -4.637774
H 0.496256 -3.506415 -4.226736


%chk=000264512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264512

0 1
S -1.658360 -1.595447 -0.033047
O 1.177843 -2.804906 -2.520870
O -2.821785 -2.636086 -0.495392
O -0.517703 -1.993616 1.063059
O 3.839457 2.588404 -0.360064
O 1.621078 3.019518 -0.036892
N -0.802492 -1.059268 -1.770463
N 2.590605 2.258748 -0.431645
C -2.436605 0.017361 0.520719
C 0.556792 -0.690780 -1.638024
C 1.616607 -1.584635 -2.027498
C -3.676566 0.381383 -0.025922
C -1.749105 0.789252 1.472569
C 0.895549 0.579361 -1.123838
C -3.594994 2.422682 1.360076
C -4.250521 1.596804 0.408814
C -2.342891 2.000755 1.883751
C 2.252232 0.935630 -0.991712
C 2.972462 -1.195376 -1.912368
C 3.296453 0.067862 -1.384667
C -4.220430 3.724289 1.824846
C 2.176030 -3.820516 -2.889095
H -0.907135 -1.953720 -2.293480
H -4.179330 -0.264796 -0.752114
H -0.795059 0.444651 1.883996
H 0.113109 1.287853 -0.840736
H -5.218983 1.906547 0.000612
H -1.823883 2.627069 2.618025
H 3.776065 -1.872847 -2.213148
H 4.333842 0.391962 -1.270898
H -3.502154 4.561016 1.753595
H -5.109838 3.986258 1.227609
H -4.534948 3.655707 2.883478
H 2.803634 -4.083390 -2.018128
H 2.806282 -3.465651 -3.725444
H 1.588142 -4.693181 -3.205005


