%chk=000214458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214458

0 1
S 2.504334 0.015505 0.769515
O 3.738627 0.758949 0.972295
O 2.001864 -0.812324 1.835918
O -3.331727 1.852373 -0.747843
O 0.781720 -1.563795 -0.996590
N 2.931948 -1.075904 -0.555164
N -1.560805 3.641671 -1.436070
C 1.313967 1.046543 0.143908
C -1.032002 1.498863 -0.381336
C -0.032935 0.675992 0.157769
C 1.687297 2.298558 -0.397542
C -0.641642 2.772218 -0.919628
C 0.741901 3.149379 -0.918662
C -2.445874 1.081526 -0.392586
C 4.373371 -1.316618 -0.799549
C -2.818809 -0.298807 0.045262
C 1.956274 -1.802419 -1.251937
C -2.235353 -1.433377 -0.533922
C -3.823331 -0.440569 1.015101
C 2.377564 -2.807136 -2.279593
C -2.647543 -2.706936 -0.130569
C -4.224698 -1.715421 1.420435
C -3.637029 -2.848758 0.847313
H -0.312431 -0.292057 0.610003
H 2.746394 2.590540 -0.389661
H 1.034512 4.112851 -1.326780
H 4.680224 -2.316814 -0.450362
H 4.986764 -0.566936 -0.253163
H 4.621401 -1.219146 -1.868693
H -2.565277 3.414234 -1.430702
H -1.290911 4.534789 -1.809582
H -1.449108 -1.331939 -1.289920
H -4.290699 0.446620 1.444428
H 2.995042 -3.606688 -1.845836
H 2.949143 -2.351476 -3.099501
H 1.491296 -3.287326 -2.726487
H -2.187293 -3.587887 -0.575525
H -4.997031 -1.826285 2.179435
H -3.950645 -3.842594 1.164220


%chk=000214458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214458

0 1
S 2.629128 -0.031115 0.754744
O 3.984664 0.859617 0.934193
O 2.062326 -0.913303 1.985693
O -3.414602 2.040783 -0.339815
O 0.949669 -1.898240 -0.909235
N 3.162156 -1.210328 -0.705627
N -1.642609 3.697505 -1.293477
C 1.304064 1.079591 0.069754
C -1.061202 1.543418 -0.258894
C -0.029173 0.705329 0.238215
C 1.704327 2.277779 -0.562682
C -0.686018 2.811311 -0.871182
C 0.703962 3.135370 -1.024713
C -2.493577 1.159590 -0.142176
C 4.599365 -1.259981 -0.978632
C -2.922913 -0.240030 0.185571
C 2.165365 -1.999116 -1.259856
C -2.221292 -1.401711 -0.241758
C -4.153027 -0.390574 0.885939
C 2.628995 -2.976105 -2.340208
C -2.737272 -2.683638 0.049914
C -4.655040 -1.670994 1.185569
C -3.945642 -2.824245 0.769012
H -0.265435 -0.221669 0.764814
H 2.764812 2.534587 -0.647568
H 0.976167 4.087363 -1.494038
H 5.045764 -2.224284 -0.672660
H 5.076560 -0.450460 -0.393214
H 4.804903 -1.075992 -2.049227
H -2.624796 3.455481 -1.079114
H -1.378022 4.567660 -1.750402
H -1.292320 -1.330628 -0.814650
H -4.698341 0.511615 1.181115
H 3.391661 -3.673257 -1.949576
H 3.070225 -2.440189 -3.200060
H 1.752545 -3.546902 -2.680234
H -2.186831 -3.568685 -0.285632
H -5.594854 -1.773909 1.738876
H -4.335194 -3.822242 0.999622


