%chk=000296157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296157

0 1
S 0.045652 3.770718 1.127994
S 1.944277 1.941238 2.298437
O -4.730303 -1.651395 0.238082
O 3.412737 -3.411975 -0.650838
N -1.179862 2.480894 -1.027780
N 1.001192 1.601220 -0.170404
C 0.190612 2.035944 -1.360534
C -1.204467 3.710975 -0.232755
C -2.062558 1.411454 -0.581679
C 1.671364 0.315304 -0.274743
C 1.030955 2.306882 0.984540
C -2.175832 0.983359 0.747184
C -2.845159 0.812432 -1.593847
C 0.891751 -0.858353 -0.337282
C 3.070982 0.260674 -0.312332
C -3.062058 -0.044500 1.081807
C -3.724975 -0.211101 -1.277074
C -3.827565 -0.634768 0.067901
C 1.518238 -2.088137 -0.468708
C 3.711592 -0.974640 -0.440517
C 2.930967 -2.136366 -0.517106
C -4.931392 -2.183558 1.589923
C 4.865679 -3.610098 -0.656998
C -5.973788 -3.262922 1.379364
C 5.003914 -5.113953 -0.781750
H 0.731788 2.880086 -1.860341
H 0.129067 1.185373 -2.084867
H -0.993932 4.573705 -0.905680
H -2.202830 3.874198 0.229999
H -1.578656 1.443058 1.538522
H -2.756449 1.163295 -2.623585
H -0.197490 -0.797614 -0.274752
H 3.662306 1.175319 -0.232059
H -3.139086 -0.365104 2.116146
H -4.340741 -0.692208 -2.034582
H 0.951656 -3.015783 -0.522606
H 4.795606 -1.013278 -0.464184
H -3.968389 -2.581135 1.953442
H -5.286769 -1.363232 2.236613
H 5.285576 -3.066785 -1.520422
H 5.274116 -3.218413 0.290514
H -6.230831 -3.759488 2.322050
H -6.896737 -2.848554 0.949202
H -5.618852 -4.029440 0.675799
H 6.056440 -5.418721 -0.799178
H 4.513319 -5.630145 0.056029
H 4.525235 -5.484759 -1.699149


%chk=000296157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296157

0 1
S 0.011058 3.582024 1.405097
S 1.936273 1.597626 2.564301
O -4.976237 -1.695865 0.337021
O 3.792911 -3.470499 -0.927282
N -1.138568 2.320570 -0.879999
N 0.984518 1.376911 -0.004726
C 0.210666 1.870202 -1.209914
C -1.129562 3.596424 -0.217856
C -2.109649 1.316376 -0.506502
C 1.738963 0.148021 -0.200743
C 1.025592 2.053191 1.200050
C -2.746217 1.311383 0.756937
C -2.454672 0.312779 -1.452308
C 1.047263 -1.077274 -0.367582
C 3.147372 0.175814 -0.278089
C -3.717984 0.334598 1.073279
C -3.401532 -0.675078 -1.136833
C -4.043029 -0.669435 0.129212
C 1.762556 -2.262796 -0.613519
C 3.874383 -1.008946 -0.518536
C 3.178484 -2.234443 -0.687016
C -5.660592 -1.745918 1.645121
C 5.269257 -3.510061 -0.977105
C -6.596817 -2.950395 1.609296
C 5.663803 -4.964976 -1.214185
H 0.760769 2.715419 -1.666112
H 0.189059 1.032597 -1.920554
H -0.692116 4.373058 -0.862696
H -2.131833 3.887602 0.124694
H -2.464774 2.048409 1.516742
H -1.997419 0.323469 -2.448091
H -0.045419 -1.099876 -0.287417
H 3.675329 1.122304 -0.128456
H -4.188881 0.358301 2.060011
H -3.675275 -1.448612 -1.860678
H 1.248679 -3.220574 -0.737377
H 4.965950 -0.965227 -0.564923
H -4.905239 -1.846330 2.451667
H -6.222979 -0.802221 1.802576
H 5.627427 -2.855890 -1.798717
H 5.679190 -3.131747 -0.018222
H -7.139934 -3.036884 2.567923
H -7.335511 -2.846317 0.796391
H -6.027619 -3.880976 1.444411
H 6.764227 -5.056568 -1.260409
H 5.293047 -5.606417 -0.396809
H 5.241383 -5.334048 -2.164281


