%chk=000260454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260454

0 1
S -5.090230 -0.758242 -0.000259
O -5.570827 -1.310178 1.244379
O -5.571717 -1.306850 -1.246013
O 6.410261 -0.337593 -0.000598
O 5.533126 1.640109 -0.001942
N -1.750373 1.321794 0.001056
N -0.665804 0.492626 0.000937
N 5.456461 0.421904 -0.001109
C -3.025829 0.735424 0.001105
C -3.365304 -0.569139 -0.000614
C -5.372783 1.010970 0.002314
C -4.211618 1.664646 0.002856
C 1.698670 0.103292 0.000640
C 2.983771 0.667648 -0.000049
C 4.100782 -0.177772 -0.000413
C 1.556704 -1.298495 0.000920
C 0.535303 1.010087 0.001056
C 3.965913 -1.573749 -0.000133
C 2.682964 -2.125140 0.000529
H -2.684057 -1.406669 -0.002030
H -6.366077 1.432364 0.003251
H -4.074436 2.738692 0.004381
H -1.663922 2.342739 0.002257
H 3.130785 1.753332 -0.000319
H 0.554613 -1.740971 0.001454
H 0.777033 2.084049 0.001379
H 4.857451 -2.210447 -0.000399
H 2.560041 -3.210131 0.000762


%chk=000260454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260454

0 1
S -5.276825 -0.724919 0.001139
O -5.842538 -1.332365 1.404530
O -5.844076 -1.330355 -1.402496
O 6.531062 -0.256284 0.000917
O 5.529982 1.790872 0.000769
N -1.754624 1.238570 0.000593
N -0.681264 0.379852 -0.000451
N 5.486612 0.500355 0.000923
C -3.050440 0.727699 0.000947
C -3.403814 -0.591948 0.000199
C -5.418998 1.197442 0.002609
C -4.172365 1.714566 0.002239
C 1.723047 0.051853 -0.000403
C 3.002653 0.662871 0.000187
C 4.151332 -0.152351 0.000320
C 1.635576 -1.372168 -0.000798
C 0.529089 0.905020 -0.000573
C 4.079609 -1.560890 -0.000102
C 2.800331 -2.162119 -0.000667
H -2.813877 -1.503038 -0.000783
H -6.410593 1.646783 0.003522
H -3.972106 2.792468 0.002929
H -1.618521 2.260104 0.001252
H 3.122444 1.750685 0.000524
H 0.644515 -1.835529 -0.001255
H 0.696998 1.999950 0.000306
H 5.000324 -2.149516 0.000023
H 2.717369 -3.253306 -0.001003


