%chk=000193098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193098

0 1
S -1.164488 0.725359 0.854669
O 2.726982 1.647167 2.804711
O 3.120108 -3.242965 -0.500560
O -3.199059 -1.739393 0.043877
N 1.676008 -1.538590 -0.940466
N 4.436928 1.973977 -0.181344
N 5.831545 -0.006677 -0.157506
N 2.372403 2.027219 -1.301927
C 0.458573 -0.819401 -0.609280
C 0.350108 -0.128796 0.542895
C 2.612733 -0.914380 -1.920054
C 1.392454 0.024619 1.593115
C 3.648542 -0.093561 -1.213314
C -1.972536 -0.326633 2.117086
C -0.616361 -0.936720 -1.634132
C -3.465016 -0.213184 1.868425
C 1.460305 1.451287 2.166582
C 3.473515 1.279478 -0.889003
C 2.060415 -2.699800 -0.244138
C -3.865362 -0.864388 0.555596
C 4.855732 -0.690080 -0.806027
C -5.129139 -0.376564 -0.078560
C 5.592704 1.315444 0.135651
C -6.219003 0.070310 0.681772
C -5.215577 -0.393651 -1.479275
C 6.645398 2.070303 0.870197
C -7.382550 0.506345 0.043030
C -6.377502 0.051332 -2.115293
C -7.460754 0.501669 -1.354404
H 2.037344 -0.314162 -2.657582
H 3.103340 -1.740438 -2.496364
H 2.401862 -0.251250 1.209334
H 1.213112 -0.694654 2.422049
H -1.693624 0.027873 3.125371
H -1.627874 -1.375721 2.017697
H -0.317420 -1.526860 -2.511243
H -1.507165 -1.447365 -1.206015
H -0.968236 0.039464 -1.994226
H -3.791756 0.849672 1.893976
H -4.022950 -0.708227 2.694961
H 1.310671 2.226066 1.396505
H 0.741175 1.604735 2.993168
H 1.328884 -3.068622 0.489382
H 5.043425 -1.762767 -0.990741
H -6.172325 0.072012 1.769916
H -4.370540 -0.762807 -2.065021
H 3.431350 1.810586 2.140014
H 2.288714 2.971161 -0.939963
H 1.493282 1.550759 -1.440430
H 7.594402 2.065630 0.308142
H 6.361786 3.119435 1.047728
H 6.858728 1.602719 1.845963
H -8.230669 0.849982 0.633744
H -6.440046 0.041811 -3.202754
H -8.368576 0.846640 -1.849431


%chk=000193098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193098

0 1
S -1.165172 2.501137 0.869314
O 2.870884 1.066448 2.759688
O 1.108210 -2.511500 -1.707406
O -2.082050 -0.927428 1.035998
N 0.869604 -0.184317 -1.551629
N 4.729514 0.884586 0.350615
N 5.109751 -1.391669 -0.405951
N 3.232496 2.324745 -0.705308
C 0.051318 0.919255 -1.077725
C -0.010269 1.174475 0.270741
C 2.120622 0.030903 -2.343414
C 0.871624 0.536619 1.325545
C 3.344132 -0.033965 -1.445159
C -2.132326 1.618494 2.255034
C -0.757959 1.600935 -2.164044
C -3.430613 0.967114 1.758223
C 1.617690 1.586691 2.214426
C 3.764623 1.055732 -0.614262
C 0.485435 -1.497913 -1.280070
C -3.218812 -0.366632 1.028896
C 4.076460 -1.227382 -1.294908
C -4.384039 -1.007266 0.334677
C 5.368883 -0.327903 0.412589
C -5.682533 -0.427234 0.325128
C -4.176019 -2.248916 -0.328579
C 6.410908 -0.497328 1.488417
C -6.747491 -1.075051 -0.335913
C -5.238746 -2.892571 -0.990882
C -6.528223 -2.306574 -0.996654
H 2.036375 0.996788 -2.874436
H 2.178837 -0.774743 -3.096461
H 1.623221 -0.101035 0.829316
H 0.275394 -0.140446 1.964623
H -2.348387 2.420157 2.980165
H -1.461603 0.880379 2.719997
H -0.106907 1.986427 -2.973818
H -1.447964 0.873854 -2.634753
H -1.349052 2.441537 -1.769115
H -3.980964 1.670850 1.106284
H -4.096438 0.766189 2.626349
H 1.787806 2.514834 1.631711
H 1.006736 1.853796 3.093501
H -0.427834 -1.553126 -0.651270
H 3.810390 -2.104875 -1.894030
H -5.870497 0.525020 0.831834
H -3.173454 -2.689051 -0.305160
H 3.588786 1.105194 2.063387
H 3.613543 3.040575 -0.088306
H 2.375606 2.514585 -1.217402
H 6.928671 -1.458350 1.355618
H 7.138008 0.332577 1.463056
H 5.935128 -0.482047 2.487109
H -7.745189 -0.623106 -0.337980
H -5.068028 -3.847094 -1.499915
H -7.356086 -2.806975 -1.511188


