%chk=000290110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290110

0 1
S -5.128832 1.470029 0.156238
O 2.185734 -2.252250 0.204217
O 3.809715 -0.855687 1.048915
O 1.911597 0.654293 -1.116668
O 1.800387 3.280358 -0.496450
N -0.337861 0.283282 -0.564910
N -1.987982 1.884881 -0.688252
N -1.728009 -1.597496 0.356053
N -4.063184 -0.943859 0.675250
C 1.502365 -1.042921 0.535944
C 2.604825 -0.084514 1.070456
C 0.977711 -0.372990 -0.765383
C 2.692072 1.066837 0.043558
C 3.630839 -2.046986 0.222663
C 2.142788 2.397349 0.573876
C 4.138393 -1.794495 -1.180469
C 4.240241 -3.215204 0.962229
C -1.513859 -0.324976 -0.106204
C -0.696230 1.634045 -0.909123
C -2.541495 0.693073 -0.189570
C -3.834807 0.310619 0.226156
C -3.011725 -1.837620 0.722507
C -6.568418 0.574736 0.762062
H 0.708227 -1.343167 1.250460
H 2.490776 0.241896 2.120210
H 0.945335 -1.061548 -1.645655
H 3.718991 1.170152 -0.375138
H 2.877155 2.898386 1.233221
H 1.179391 2.286904 1.112497
H 5.196922 -1.506051 -1.175980
H 4.033286 -2.689616 -1.807390
H 3.581305 -0.985803 -1.677175
H 4.209066 -3.050833 2.050329
H 3.674673 -4.137853 0.761332
H 5.286352 -3.386586 0.684838
H 0.059556 2.333793 -1.280080
H 2.516385 3.311018 -1.167421
H -3.248955 -2.846300 1.098958
H -7.426351 1.257972 0.737888
H -6.426207 0.216795 1.790926
H -6.795273 -0.304063 0.142686


%chk=000290110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290110

0 1
S -5.227217 1.545835 0.111998
O 2.172805 -2.306131 0.164861
O 3.805237 -0.890813 1.104717
O 1.926753 0.602920 -1.222988
O 1.938163 3.423276 -0.494562
N -0.374450 0.321927 -0.575699
N -2.030175 1.905599 -0.795571
N -1.715437 -1.514736 0.434952
N -4.062033 -0.874009 0.744000
C 1.476240 -1.054100 0.474860
C 2.583604 -0.084022 1.017847
C 0.928529 -0.367568 -0.808402
C 2.668478 1.073236 -0.013373
C 3.647269 -2.091067 0.234316
C 2.112023 2.402379 0.537349
C 4.222536 -1.841201 -1.168047
C 4.266903 -3.281078 0.959398
C -1.546401 -0.264856 -0.082162
C -0.732420 1.619661 -1.004640
C -2.560356 0.736584 -0.222107
C -3.857548 0.372226 0.226744
C -3.003593 -1.742027 0.822416
C -6.616108 0.494379 0.824572
H 0.672205 -1.295543 1.185145
H 2.379822 0.281097 2.038218
H 0.810647 -1.099823 -1.624750
H 3.710715 1.208308 -0.354851
H 2.795902 2.750068 1.342252
H 1.106671 2.271791 0.971010
H 5.304335 -1.632531 -1.097997
H 4.076992 -2.740201 -1.791628
H 3.720886 -0.990513 -1.659327
H 3.804365 -3.395432 1.952242
H 4.102363 -4.203623 0.377726
H 5.352433 -3.126797 1.081791
H 0.007811 2.301934 -1.419951
H 2.792512 3.561601 -0.976762
H -3.219944 -2.727082 1.245157
H -7.509729 1.136790 0.793167
H -6.372330 0.204782 1.855755
H -6.753559 -0.405642 0.209926


