%chk=000198826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198826

1 1
S -5.087055 0.098797 -0.087330
O -5.373124 0.275652 1.322625
O -5.297718 1.197518 -1.012203
N 1.270985 2.578034 0.445527
N 3.051352 -0.306043 -0.396362
N 1.499564 -1.956801 -0.023639
C 1.513635 1.699753 -0.810526
C 1.776031 0.292614 -0.486715
C 2.486661 2.564671 1.343735
C 1.005965 3.998035 -0.009910
C 0.072638 2.082850 1.221721
C 0.850207 -0.771896 -0.271155
C 2.846126 -1.693843 -0.108056
C -0.616691 -0.667512 -0.272923
C 4.333919 0.221199 -0.560403
C 3.980020 -2.543928 0.035150
C -1.275582 -0.107777 -1.379998
C -1.344921 -1.090456 0.848273
C 5.408282 -0.623204 -0.418402
C 5.233031 -2.010787 -0.116088
C -3.377355 -0.294713 -0.195540
C -2.660080 0.075013 -1.334736
C -2.730557 -0.896280 0.883247
C -5.914621 -1.316419 -0.673043
H 2.349357 2.152606 -1.396210
H 0.598875 1.775354 -1.456755
H 3.380677 2.959629 0.831236
H 2.331432 3.176184 2.253144
H 2.721932 1.536110 1.684711
H 0.101005 4.061778 -0.645376
H 0.837441 4.679952 0.846555
H 1.850236 4.412197 -0.590236
H -0.828305 2.001512 0.580605
H 0.250819 1.072404 1.643403
H -0.180908 2.750811 2.064924
H 4.434793 1.276093 -0.814175
H 3.801878 -3.602963 0.255691
H -0.720632 0.147229 -2.281554
H -0.836890 -1.586688 1.677972
H 6.425906 -0.239892 -0.543984
H 6.124602 -2.638538 -0.015294
H -3.179403 0.529456 -2.189014
H -3.299340 -1.199644 1.772081
H -6.591883 -1.758106 0.079643
H -6.567036 -1.102553 -1.538316
H -5.266465 -2.140410 -0.997200


%chk=000198826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198826

1 1
S -5.302087 -0.105407 -0.030777
O -5.620059 -0.159536 1.572583
O -5.565435 1.225632 -0.947989
N 1.425304 2.707604 0.445005
N 3.038037 -0.299390 -0.391892
N 1.468066 -1.917991 0.075422
C 1.562966 1.737849 -0.834070
C 1.763465 0.307845 -0.528108
C 2.683457 2.642996 1.298214
C 1.219286 4.127579 -0.069717
C 0.222848 2.290848 1.286325
C 0.827858 -0.738714 -0.258712
C 2.806181 -1.661806 -0.016155
C -0.649928 -0.661159 -0.278980
C 4.325495 0.184655 -0.593788
C 3.917912 -2.522680 0.181835
C -1.345603 0.041841 -1.300912
C -1.383144 -1.292731 0.761939
C 5.408658 -0.663796 -0.405466
C 5.209753 -2.027295 -0.007260
C -3.432469 -0.445600 -0.192585
C -2.751446 0.158587 -1.261406
C -2.788531 -1.175900 0.819705
C -6.204205 -1.592532 -0.868064
H 2.389040 2.183310 -1.416429
H 0.620456 1.908166 -1.374850
H 3.541911 3.003705 0.711211
H 2.548497 3.283332 2.183834
H 2.850076 1.603300 1.614567
H 0.292238 4.167262 -0.661878
H 1.138300 4.815841 0.785737
H 2.076139 4.416942 -0.697828
H -0.684290 2.313533 0.664362
H 0.382641 1.270488 1.661330
H 0.122082 2.992699 2.129001
H 4.437567 1.220892 -0.921002
H 3.721039 -3.557893 0.468907
H -0.799891 0.451717 -2.158854
H -0.841987 -1.865765 1.521448
H 6.416204 -0.276497 -0.575048
H 6.075600 -2.678902 0.137043
H -3.309288 0.720934 -2.018195
H -3.364891 -1.605409 1.646050
H -6.799885 -2.047691 -0.065586
H -6.818987 -1.139208 -1.657106
H -5.440149 -2.274655 -1.266763


