%chk=000189149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189149

0 1
S -2.247875 1.632292 -1.389523
O 0.026745 1.422884 0.669206
O 1.768053 4.151880 -0.258520
O 3.630483 1.480169 0.345520
O -5.733551 -0.102379 1.740713
O -5.224918 1.518635 3.192230
N 1.413331 -0.455960 0.414074
N 0.980291 -2.715368 0.194744
N 2.358457 -0.059724 -1.889561
N 2.426825 -2.096429 -3.245984
N 1.665822 -4.192343 -2.457950
N -2.493592 0.840221 2.359076
C 1.663526 2.747965 -0.502592
C 2.347513 1.955145 0.646356
C 0.150447 2.442826 -0.376069
C 1.295923 0.872260 1.044289
C -0.477549 1.918333 -1.649968
C 1.802868 -0.815287 -0.883585
C 0.898402 -1.668810 1.013240
C 1.538553 -2.225563 -0.999229
C -2.298492 0.004946 -0.568467
C -3.551911 -0.066247 0.284907
C 1.872209 -2.862240 -2.231783
C -3.618882 1.002109 1.392940
C 2.638595 -0.768572 -3.023239
C -4.891296 0.867980 2.230997
H 2.097375 2.500628 -1.494765
H 2.533720 2.624266 1.526847
H -0.398202 3.317676 0.052605
H 1.220057 0.726865 2.151482
H 0.020970 1.000498 -2.017314
H -0.392433 2.666930 -2.467211
H 2.689015 4.457964 -0.415958
H 3.660010 1.000514 -0.526622
H 0.506437 -1.671385 2.023854
H -1.381391 -0.140940 0.040315
H -2.302399 -0.791007 -1.337253
H -3.611406 -1.075929 0.755620
H -4.467069 0.010320 -0.342313
H -3.658501 2.028563 0.925555
H 3.087183 -0.202955 -3.859837
H 1.922070 -4.614228 -3.338301
H 1.273587 -4.778680 -1.734887
H -1.601533 0.889501 1.861476
H -2.501299 1.601099 3.038546
H -6.563070 -0.194622 2.282838


%chk=000189149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189149

0 1
S -2.711729 2.332023 -1.078692
O -0.032173 1.619153 0.657139
O 2.007944 4.017401 -1.104214
O 3.663388 1.701585 0.188125
O -5.947720 0.584990 2.297998
O -4.380761 -0.182816 3.826210
N 1.276801 -0.351024 0.175798
N 0.430061 -2.427917 -0.356460
N 3.309092 -0.404505 -1.293966
N 3.491092 -2.482308 -2.570866
N 1.902441 -4.220386 -2.392530
N -2.276451 0.264509 2.079982
C 1.571058 2.653428 -0.838742
C 2.289153 2.042786 0.398746
C 0.082058 2.662548 -0.439658
C 1.264939 0.968463 0.878749
C -0.884984 2.357100 -1.582595
C 2.154536 -0.910072 -0.760957
C 0.259484 -1.317767 0.381386
C 1.615166 -2.186140 -1.073415
C -2.939174 0.454100 -0.815905
C -4.001783 0.145176 0.247409
C 2.329478 -2.979845 -2.017931
C -3.614197 0.707097 1.648065
C 3.913075 -1.248228 -2.185339
C -4.638021 0.311761 2.704341
H 1.752634 2.007786 -1.725312
H 2.285054 2.817200 1.189561
H -0.162557 3.630895 0.031328
H 1.338675 0.768149 1.959863
H -0.655962 1.387872 -2.058892
H -0.790682 3.151667 -2.343486
H 2.999823 4.010884 -1.151556
H 3.716214 0.918961 -0.497624
H -0.589218 -1.121569 1.045400
H -1.962660 0.059860 -0.497189
H -3.220028 0.016162 -1.788350
H -4.088614 -0.956820 0.318652
H -4.990070 0.543431 -0.045912
H -3.670965 1.817995 1.564701
H 4.843184 -0.891411 -2.635627
H 2.451060 -4.751304 -3.066346
H 1.049966 -4.605545 -1.989770
H -1.536721 0.917301 1.788525
H -2.253803 0.014899 3.076077
H -6.575004 0.336277 3.029778


