%chk=000184536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184536

0 1
S 1.847272 2.370943 1.261369
O -2.105785 1.044249 -0.788118
N -2.929902 -0.862705 0.251115
N -0.600457 -0.450413 0.186316
N 0.303207 1.623530 0.993606
C -4.390838 -0.563619 -0.000652
C -5.188633 -1.742567 0.584562
C -4.772469 0.746970 0.700680
C -4.614517 -0.458011 -1.514491
C -1.926975 0.028958 -0.153454
C 1.877034 -0.026380 0.290154
C 0.470667 0.415515 0.481582
C 2.765318 0.990139 0.701804
C 2.376383 -1.228710 -0.221589
C 3.762101 -1.402321 -0.305434
C 4.147695 0.827174 0.623188
C 4.637621 -0.374624 0.119868
C 4.337356 -2.669931 -0.847750
H -5.063034 -1.835257 1.668354
H -6.261482 -1.603657 0.401776
H -4.909062 -2.697145 0.125180
H -4.179321 1.590600 0.308459
H -4.595193 0.709357 1.779733
H -5.825961 0.995284 0.543118
H -4.305945 -1.366891 -2.040379
H -5.666365 -0.272370 -1.750510
H -4.033187 0.375960 -1.942114
H -2.727122 -1.565478 0.957205
H -0.389711 -1.444686 0.141784
H 1.700309 -2.010250 -0.558184
H 4.824900 1.616885 0.944412
H 5.713812 -0.530005 0.046891
H 3.570120 -3.403570 -1.126708
H 4.939273 -2.479629 -1.749028
H 4.996089 -3.157343 -0.114247


%chk=000184536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184536

0 1
S 2.042974 2.580423 1.255851
O -2.092868 1.295421 -0.553184
N -2.887107 -0.717209 0.374440
N -0.605120 -0.241590 0.473522
N 0.388299 1.823261 1.138217
C -4.323076 -0.585682 -0.031657
C -5.031754 -1.867903 0.467800
C -4.951337 0.669501 0.631901
C -4.423281 -0.492641 -1.575376
C -1.901110 0.213049 0.059761
C 1.875893 0.081423 0.374922
C 0.523634 0.575582 0.656002
C 2.855962 1.069635 0.675714
C 2.282665 -1.176823 -0.140730
C 3.650382 -1.456573 -0.337469
C 4.230238 0.813531 0.481848
C 4.610911 -0.448151 -0.014265
C 4.110905 -2.792890 -0.892814
H -4.957191 -1.965881 1.568529
H -6.103611 -1.828326 0.208874
H -4.599101 -2.771462 -0.000904
H -4.402235 1.574766 0.325364
H -4.913593 0.590466 1.734081
H -6.008509 0.773599 0.326099
H -3.975547 -1.385251 -2.048812
H -5.484567 -0.431081 -1.877300
H -3.899308 0.404397 -1.942449
H -2.682470 -1.402515 1.105229
H -0.456764 -1.249592 0.545642
H 1.533892 -1.932558 -0.410669
H 4.986016 1.571948 0.708793
H 5.675734 -0.662995 -0.166378
H 3.260586 -3.471425 -1.077642
H 4.651476 -2.664834 -1.849435
H 4.802180 -3.301616 -0.195009


