%chk=000218937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218937

0 1
S 3.579486 -1.716061 1.057429
O -0.412748 -1.415325 0.259894
O 3.256726 1.886784 -0.259507
N 1.489569 0.439765 0.121116
C -0.915519 0.900904 0.263338
C 0.426885 1.372776 0.222809
C -1.253567 -0.533464 0.147463
C -2.679007 -0.911758 -0.124463
C -1.952994 1.843437 0.437383
C 0.680094 2.764125 0.299643
C -1.693237 3.201777 0.532171
C -0.365552 3.659496 0.452064
C 2.858133 0.751419 -0.087307
C -3.315283 -0.473924 -1.294084
C -3.350472 -1.749318 0.775400
C 3.738921 -0.427608 -0.088074
C -4.629894 -0.868261 -1.555755
C -4.669256 -2.132352 0.513025
C -5.307900 -1.693104 -0.651069
C 4.806372 -0.651860 -0.915911
C 5.490162 -1.886471 -0.625587
C 4.943397 -2.573146 0.419381
H -2.986599 1.491678 0.505204
H 1.711603 3.134526 0.239294
H 1.211360 -0.573074 0.172347
H -2.505053 3.912228 0.667314
H -0.158873 4.729673 0.515338
H -2.784149 0.167213 -1.998263
H -2.841314 -2.105248 1.671948
H -5.126005 -0.534402 -2.465913
H -5.195675 -2.779331 1.213319
H -6.333890 -1.996759 -0.856305
H 5.121325 0.017070 -1.709348
H 6.351906 -2.208217 -1.196258
H 5.262750 -3.513287 0.839065


%chk=000218937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218937

0 1
S 3.009016 -2.244295 0.028428
O -0.416287 -1.286611 0.486166
O 3.368803 1.813734 -0.352713
N 1.445199 0.502526 0.056548
C -0.941702 1.058059 0.210715
C 0.438490 1.486474 0.089037
C -1.305066 -0.382972 0.247657
C -2.710042 -0.848561 -0.006437
C -1.951899 2.055772 0.344257
C 0.731653 2.878512 0.015676
C -1.646881 3.425954 0.305467
C -0.300973 3.827432 0.119796
C 2.816671 0.682539 -0.158354
C -3.552766 -0.256358 -0.986542
C -3.163195 -2.000220 0.692255
C 3.644080 -0.549140 -0.147859
C -4.831196 -0.797234 -1.244846
C -4.447627 -2.525155 0.447808
C -5.286649 -1.923725 -0.521385
C 5.030461 -0.559812 -0.285487
C 5.612421 -1.871746 -0.251521
C 4.674449 -2.883229 -0.089180
H -2.984904 1.738360 0.511937
H 1.771523 3.184600 -0.107045
H 1.063477 -0.449306 0.259038
H -2.439463 4.171483 0.423476
H -0.048863 4.892911 0.075233
H -3.195554 0.597650 -1.571042
H -2.490708 -2.470441 1.416913
H -5.466940 -0.345099 -2.013816
H -4.793476 -3.403529 1.003293
H -6.282282 -2.336571 -0.718487
H 5.589043 0.370482 -0.407124
H 6.683817 -2.063004 -0.344014
H 4.829070 -3.959578 -0.030747


