%chk=000298372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298372

0 1
S 1.395121 1.603604 0.612391
O 1.377512 1.856465 2.059433
O 1.668303 2.731692 -0.267165
O 0.516600 0.430637 -1.954692
N -3.987433 -0.586395 -0.614247
N 5.407855 -2.639729 -0.390980
C -0.140060 0.916630 0.238674
C 2.562844 0.367959 0.315719
C -2.733301 -0.091599 -0.313239
C -0.486254 0.418342 -1.020237
C -1.136667 0.894315 1.232496
C -5.101176 -0.627597 0.367590
C -1.749574 -0.087058 -1.335341
C -2.406198 0.401967 0.983657
C -6.364392 -1.213774 -0.280811
C 3.131122 0.223208 -0.955310
C 2.977389 -0.466736 1.360727
C 4.092449 -0.752384 -1.199877
C 3.934954 -1.452521 1.148060
C 4.495620 -1.603076 -0.143275
C -7.512182 -1.259473 0.722542
H -0.889555 1.281146 2.233678
H -5.303334 0.402314 0.745367
H -4.797029 -1.242715 1.246805
H -1.970066 -0.458590 -2.325131
H -4.184170 -0.919246 -1.551124
H -3.145471 0.401094 1.776102
H -6.161836 -2.234609 -0.663790
H -6.661594 -0.607725 -1.160793
H 2.815040 0.890636 -1.768000
H 2.550675 -0.333520 2.362992
H 4.523517 -0.858908 -2.189410
H 4.244206 -2.098781 1.962785
H -7.271784 -1.883606 1.591896
H -7.769882 -0.260571 1.095598
H -8.418100 -1.677041 0.265331
H 0.218663 0.119951 -2.845615
H 5.979857 -2.585624 -1.218297
H 5.867633 -3.069881 0.395390


%chk=000298372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298372

0 1
S 1.441496 1.633430 0.556650
O 1.376178 1.881230 2.182044
O 1.773557 2.869185 -0.459293
O 0.384377 0.520256 -2.152661
N -4.145315 -0.530728 -0.613147
N 5.737561 -2.580729 -0.250267
C -0.243410 0.884556 0.148349
C 2.724248 0.288881 0.279741
C -2.864796 -0.062185 -0.347813
C -0.595831 0.466494 -1.154843
C -1.180725 0.838908 1.192881
C -5.215332 -0.621333 0.387853
C -1.898911 -0.010122 -1.399371
C -2.484175 0.367304 0.961113
C -6.502160 -1.193702 -0.238278
C 3.357585 0.202930 -0.971539
C 3.073891 -0.528591 1.367849
C 4.367034 -0.760735 -1.147339
C 4.080183 -1.494935 1.187332
C 4.738341 -1.626365 -0.073413
C -7.648136 -1.299022 0.788891
H -0.862819 1.185998 2.182824
H -5.428300 0.382059 0.815683
H -4.896176 -1.271228 1.230723
H -2.174245 -0.349122 -2.407632
H -4.371282 -0.812199 -1.566701
H -3.201680 0.338591 1.784405
H -6.286945 -2.195657 -0.661271
H -6.816999 -0.546071 -1.081479
H 3.067770 0.885625 -1.775593
H 2.582356 -0.388059 2.336268
H 4.878474 -0.844763 -2.113395
H 4.370223 -2.143300 2.022405
H -7.370780 -1.961419 1.629654
H -7.900073 -0.307491 1.208122
H -8.561452 -1.709881 0.323567
H 0.011908 0.266875 -3.032976
H 6.228670 -2.663626 -1.135328
H 6.024993 -3.182256 0.515885


