%chk=000279439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279439

0 1
S 0.444534 -1.839552 -0.019822
O -4.444308 -0.647382 0.017973
N 0.635093 1.280062 0.006324
C -0.872175 -0.689202 -0.002407
C -0.552221 0.749302 0.008133
C -2.125526 -1.184292 0.000432
C -1.724497 1.688341 0.022435
C 1.891916 -0.870989 -0.018974
C 1.834767 0.532632 -0.006388
C -3.301241 -0.240624 0.015042
C -2.977525 1.200645 0.025431
C -2.443631 -2.633918 -0.010110
C -1.436442 3.148014 0.032906
C 3.120843 -1.542365 -0.031326
C 3.040606 1.274118 -0.006166
C 4.300392 -0.800474 -0.030973
C 4.258721 0.604645 -0.018379
H -3.852906 1.855465 0.035930
H -2.034873 -3.152259 0.871548
H -2.044754 -3.137161 -0.904936
H -3.535620 -2.810154 -0.005547
H -0.829611 3.427689 0.910961
H -2.342887 3.766492 0.042960
H -0.839224 3.442182 -0.847006
H 3.158744 -2.632696 -0.041124
H 2.994830 2.364722 0.003615
H 5.263574 -1.310858 -0.040504
H 5.190519 1.170317 -0.018226


%chk=000279439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279439

0 1
S 0.451572 -1.949834 -0.020604
O -4.543293 -0.626887 0.018361
N 0.647609 1.269204 0.006161
C -0.902023 -0.711940 -0.002331
C -0.574074 0.729256 0.008114
C -2.196182 -1.198416 0.000734
C -1.705267 1.685737 0.022259
C 1.929914 -0.897845 -0.019358
C 1.837121 0.529280 -0.006426
C -3.323420 -0.232333 0.015102
C -2.993188 1.204851 0.025267
C -2.523519 -2.672356 -0.009928
C -1.397880 3.166422 0.033016
C 3.189680 -1.538773 -0.031642
C 3.047840 1.285034 -0.006145
C 4.369732 -0.766844 -0.031093
C 4.300187 0.651327 -0.018233
H -3.849117 1.889013 0.035638
H -2.099795 -3.188498 0.874103
H -2.110018 -3.173349 -0.907412
H -3.617590 -2.799793 -0.004744
H -0.789222 3.435987 0.913948
H -2.330210 3.755107 0.043528
H -0.799718 3.451060 -0.850372
H 3.247885 -2.632846 -0.041510
H 2.948711 2.374643 0.003868
H 5.342252 -1.270385 -0.040676
H 5.219111 1.245878 -0.017823


