%chk=000264052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264052

0 1
S 1.304371 -1.967691 0.201513
O -0.455419 -0.298577 1.668897
N 1.972900 0.537799 -0.561850
N 3.608856 -0.782715 0.665442
C -2.413514 -0.248317 0.331167
C -0.253189 -1.352270 -0.457037
C -0.984522 -0.590285 0.623225
C -2.861314 0.033592 -0.966314
C -3.311723 -0.193310 1.408086
C 2.854162 1.581708 -0.609526
C 2.388007 -0.589222 0.086338
C -4.203434 0.355517 -1.185875
C -4.654503 0.121384 1.184241
C -5.100594 0.394840 -0.112731
C 4.134242 1.473179 -0.025450
C 2.410790 2.825930 -1.297221
C 4.473688 0.265652 0.599987
H -0.089329 -0.700771 -1.345980
H -0.836929 -2.224359 -0.815785
H -2.168037 0.014802 -1.806664
H -2.949474 -0.391398 2.420338
H -4.550850 0.577388 -2.193605
H -5.350732 0.158539 2.020904
H -6.147252 0.642333 -0.287664
H 4.833235 2.302167 -0.057913
H 3.104032 3.112811 -2.101059
H 1.410125 2.718728 -1.748569
H 2.353320 3.668436 -0.590360
H 5.454489 0.113110 1.067863


%chk=000264052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264052

0 1
S 1.472804 -2.208412 -0.069537
O -0.403986 -0.581197 1.696448
N 1.918481 0.474681 -0.488279
N 3.759067 -0.876275 0.368664
C -2.335452 -0.315876 0.278650
C -0.184770 -1.495639 -0.565690
C -0.934234 -0.783955 0.571566
C -2.946655 -0.457776 -0.997072
C -3.068339 0.295957 1.332837
C 2.706065 1.597306 -0.451304
C 2.475415 -0.690725 -0.066186
C -4.263424 0.003037 -1.211504
C -4.382920 0.753157 1.118339
C -4.984492 0.607652 -0.155709
C 4.046550 1.516295 0.002261
C 2.070262 2.887528 -0.907108
C 4.531077 0.246059 0.393955
H -0.001035 -0.771255 -1.379054
H -0.766718 -2.346289 -0.960473
H -2.402032 -0.919308 -1.827431
H -2.579120 0.397454 2.307337
H -4.727431 -0.107782 -2.197645
H -4.940817 1.220533 1.937049
H -6.007458 0.962591 -0.323977
H 4.685141 2.401918 0.044043
H 2.786397 3.725024 -0.884019
H 1.677064 2.779285 -1.933649
H 1.210598 3.135209 -0.258554
H 5.561364 0.109803 0.740440


