%chk=000273956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273956

0 1
S 1.541170 -2.224575 -0.000402
N -4.218061 1.390217 0.000227
C 0.515996 0.218256 0.000019
C 0.130178 -1.169438 -0.000110
C -0.472030 1.187771 0.000047
C -1.166519 -1.610703 -0.000065
C 1.979958 0.371261 0.000082
C -1.849325 0.768422 0.000108
C -2.201895 -0.607957 0.000054
C 2.661349 -0.872705 -0.000197
C -0.147638 2.644111 -0.000217
C -1.523173 -3.058864 -0.000173
C 2.751800 1.536541 0.000432
C -3.591120 -0.951172 0.000078
C -2.932069 1.720386 0.000211
C 4.042625 -0.980391 -0.000243
C 4.150728 1.444683 0.000380
C 4.793657 0.203559 0.000026
C -4.544264 0.042022 0.000151
H -1.036353 3.294013 0.001961
H 0.442935 2.918136 0.888735
H 0.438890 2.918514 -0.891736
H -2.115834 -3.322457 0.889102
H -2.114946 -3.322517 -0.890021
H -0.651164 -3.728000 0.000303
H 2.287976 2.519901 0.000834
H -3.885266 -1.998753 0.000030
H -2.697480 2.797307 0.000292
H 4.536567 -1.950348 -0.000466
H 4.744309 2.358415 0.000620
H 5.881274 0.152575 -0.000019
H -5.618373 -0.170709 0.000155


%chk=000273956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273956

0 1
S 1.554450 -2.301206 0.000213
N -4.283923 1.386501 -0.000403
C 0.514864 0.227215 0.000095
C 0.124458 -1.168525 0.000068
C -0.494924 1.221339 0.000367
C -1.195361 -1.622385 0.000051
C 1.986004 0.382862 -0.000052
C -1.875601 0.795446 0.000106
C -2.221153 -0.617663 -0.000071
C 2.674595 -0.872370 0.000090
C -0.130853 2.695806 0.001101
C -1.544686 -3.097853 0.000097
C 2.796574 1.554441 -0.000504
C -3.614361 -0.963377 -0.000336
C -2.980025 1.724324 -0.000126
C 4.076651 -0.984404 0.000000
C 4.203087 1.459091 -0.000615
C 4.847090 0.198059 -0.000314
C -4.585559 0.034720 -0.000468
H -1.010233 3.353166 0.002662
H 0.468833 2.955299 0.893150
H 0.466871 2.956843 -0.891834
H -2.141239 -3.370431 0.890804
H -2.140406 -3.370688 -0.891094
H -0.642675 -3.731072 0.000609
H 2.346638 2.546212 -0.000884
H -3.921274 -2.013026 -0.000470
H -2.794612 2.802531 -0.000169
H 4.561335 -1.965986 0.000139
H 4.802108 2.375950 -0.000964
H 5.940434 0.135507 -0.000379
H -5.653206 -0.208824 -0.000673


