%chk=000233702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233702

0 1
S 3.228966 -1.594907 0.357809
O 3.544252 -2.523440 -0.714895
O 3.666102 -1.867943 1.717462
O -3.115999 -0.333950 -2.227731
O -3.521149 -1.754051 0.807695
O -4.561552 2.781962 0.988135
N -4.714324 0.608530 0.331480
C -3.262189 0.520371 0.078792
C 1.493165 -1.385346 0.392308
C -1.267750 -1.048730 0.452372
C -2.757199 -0.878830 0.480396
C 0.745984 -1.579635 -0.770874
C 0.861118 -1.050410 1.591461
C 3.809543 -0.020448 -0.096519
C -0.641444 -1.403943 -0.747625
C -0.526494 -0.876063 1.627015
C -2.941189 0.820958 -1.403164
C 4.101621 0.926051 0.889124
C 4.010297 0.285381 -1.445219
C -5.261317 1.793257 0.853926
C 4.568002 2.193017 0.524999
C 4.476572 1.551344 -1.812807
C 4.751838 2.505099 -0.826592
C -6.724942 1.728579 1.170896
H -2.733635 1.299713 0.708972
H 1.238180 -1.884521 -1.701165
H 1.446450 -0.939761 2.511765
H -1.238171 -1.544632 -1.656588
H -1.022056 -0.624287 2.564253
H -3.561643 1.654875 -1.781054
H -1.868709 1.064002 -1.539588
H -5.225212 -0.275167 0.335017
H 3.980337 0.674029 1.948002
H 3.817366 -0.469065 -2.215591
H 4.794636 2.931787 1.292180
H 4.632355 1.791003 -2.863513
H 5.116415 3.492717 -1.111892
H -4.065218 -0.571905 -2.292396
H -7.080581 2.717937 1.506865
H -7.334972 1.447192 0.301893
H -6.946354 1.018432 1.979896


%chk=000233702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233702

0 1
S 3.280722 -1.667519 0.060946
O 3.424907 -2.504439 -1.339244
O 3.795115 -2.225620 1.512628
O -3.550179 -0.537132 -2.071480
O -3.360022 -1.204249 1.700906
O -5.364282 2.744678 -0.100475
N -4.908318 0.553464 0.515710
C -3.492271 0.646988 0.136446
C 1.430186 -1.276942 0.268004
C -1.285994 -0.761142 0.578722
C -2.747386 -0.518947 0.830797
C 0.620970 -1.269250 -0.877194
C 0.939108 -1.094448 1.570109
C 4.120419 0.014722 -0.213031
C -0.755764 -0.995837 -0.719078
C -0.440764 -0.846590 1.719645
C -3.309621 0.743657 -1.398398
C 4.592299 0.704980 0.914133
C 4.289704 0.454729 -1.534814
C -5.750246 1.653236 0.424350
C 5.248719 1.939073 0.696097
C 4.948715 1.690904 -1.732039
C 5.418858 2.430196 -0.620417
C -7.156040 1.459354 0.979373
H -3.064258 1.590146 0.549935
H 1.047681 -1.507467 -1.857062
H 1.609888 -1.183139 2.430917
H -1.425467 -1.037921 -1.583714
H -0.874508 -0.725202 2.717430
H -3.980396 1.540275 -1.767682
H -2.272193 1.016398 -1.644677
H -5.146373 -0.246512 1.115041
H 4.476201 0.277516 1.915692
H 3.946136 -0.161487 -2.372410
H 5.632738 2.507439 1.549520
H 5.101557 2.068109 -2.748483
H 5.931262 3.384915 -0.781188
H -4.501936 -0.785615 -1.960263
H -7.891613 1.634906 0.175536
H -7.324379 0.455779 1.405400
H -7.342077 2.217198 1.759812


