%chk=000184562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184562

0 1
S 0.499706 -3.240664 -0.000137
O -3.657073 1.007516 -0.000312
O -3.708759 -1.282990 0.000095
O 4.623658 1.975774 -0.000418
O 2.690051 2.948489 -0.000080
N -1.689193 -0.023940 -0.000294
N -0.973200 -2.329770 -0.000213
N 3.404846 1.958846 -0.000231
C 0.730441 -0.667800 -0.000208
C 1.531860 -1.839856 -0.000158
C -0.708812 -1.033605 -0.000240
C 1.337838 0.588222 -0.000220
C 2.736804 0.640245 -0.000195
C 2.927950 -1.780857 -0.000119
C 3.532506 -0.530086 -0.000143
C -3.089268 -0.254039 -0.000142
C -5.134560 1.035040 -0.000209
C -5.452159 2.512515 -0.000370
H 0.755276 1.515791 -0.000266
H 3.528546 -2.691425 -0.000082
H 4.625377 -0.430495 -0.000123
H -1.371557 0.951433 -0.000449
H -5.476720 0.504760 -0.905839
H -5.476597 0.504981 0.905598
H -6.536306 2.683977 -0.000442
H -5.031920 3.016909 0.881406
H -5.031833 3.016728 -0.882209


%chk=000184562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184562

0 1
S 0.543116 -3.370784 0.000953
O -3.608426 1.038971 -0.000448
O -3.715413 -1.317269 0.001181
O 4.642161 2.038567 0.004284
O 2.574999 3.008336 0.004380
N -1.669148 -0.092886 -0.000344
N -1.016563 -2.401552 0.000824
N 3.351332 1.972510 -0.002923
C 0.730417 -0.727582 -0.000597
C 1.562768 -1.888935 -0.000159
C -0.694120 -1.095921 -0.000011
C 1.320085 0.554000 -0.001465
C 2.724644 0.635046 -0.001942
C 2.971941 -1.790765 -0.000589
C 3.559228 -0.515286 -0.001462
C -3.062630 -0.257038 0.000225
C -5.100188 1.100796 0.000043
C -5.477818 2.577582 -0.000832
H 0.747118 1.486798 -0.001849
H 3.598656 -2.686779 -0.000255
H 4.643825 -0.382756 -0.001842
H -1.356743 0.880446 -0.001095
H -5.468447 0.568218 -0.895361
H -5.467808 0.569442 0.896436
H -6.578369 2.678046 -0.000489
H -5.083521 3.087863 0.893836
H -5.084192 3.086631 -0.896497


