%chk=000227690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227690

0 1
S 1.017292 3.003369 -1.537621
S -1.780750 2.391551 -2.072756
S 3.348510 1.102167 -1.033802
S -2.016642 -0.652242 -2.353783
N -0.621133 3.234851 -1.158692
N 0.869462 0.529533 -0.410624
N -2.443545 0.625278 -0.110375
C -1.003839 3.805121 0.165972
C -0.532619 5.264444 0.214024
C -0.446715 2.998570 1.337209
C 1.592468 1.480877 -0.924766
C -2.102992 0.834736 -1.347545
C 3.045192 -0.468417 -0.327571
C -2.468598 -1.610834 -0.969259
C 1.654963 -0.603130 -0.055507
C -2.643967 -0.757286 0.156393
C 3.941780 -1.490957 -0.040267
C -2.648759 -2.987556 -0.869772
C 1.156527 -1.785112 0.511962
C -2.996401 -1.298887 1.403549
C 3.435350 -2.662633 0.527536
C -2.999381 -3.512558 0.374214
C 2.061544 -2.805611 0.798068
C -3.169543 -2.676948 1.496016
H -2.130899 3.785033 0.220266
H -0.905555 5.757156 1.119259
H 0.560847 5.349346 0.225394
H -0.895364 5.835649 -0.649190
H -0.722243 1.933182 1.262389
H -0.848964 3.362563 2.288919
H 0.645414 3.044988 1.407413
H 5.004537 -1.385709 -0.249930
H -2.518581 -3.635435 -1.734805
H 0.089159 -1.886739 0.712499
H -3.128440 -0.643890 2.263646
H 4.113009 -3.481664 0.764956
H -3.146421 -4.586339 0.484462
H 1.701068 -3.734885 1.239377
H -3.444670 -3.122481 2.451942


%chk=000227690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227690

0 1
S 1.106773 3.093884 -1.541523
S -1.830390 2.475641 -2.175452
S 3.483454 1.101731 -1.025300
S -1.951984 -0.683695 -2.454798
N -0.606705 3.234539 -1.124585
N 0.914011 0.498546 -0.413236
N -2.512688 0.635934 -0.167584
C -1.008895 3.828622 0.203418
C -0.662459 5.331984 0.226624
C -0.410343 3.071141 1.404402
C 1.650953 1.459658 -0.899607
C -2.145817 0.840499 -1.410488
C 3.087502 -0.528224 -0.323068
C -2.441999 -1.622144 -0.988317
C 1.680386 -0.638894 -0.067088
C -2.668698 -0.733558 0.118709
C 3.974433 -1.583230 -0.037069
C -2.594223 -3.016936 -0.852332
C 1.161256 -1.831554 0.488269
C -3.040371 -1.262236 1.379072
C 3.438145 -2.768354 0.517419
C -2.962653 -3.525239 0.413253
C 2.046951 -2.889027 0.777037
C -3.182489 -2.655946 1.518119
H -2.107552 3.703240 0.217815
H -1.020980 5.787628 1.168288
H 0.431588 5.479695 0.170770
H -1.132136 5.857176 -0.622847
H -0.663531 2.001052 1.352173
H -0.814149 3.493271 2.343168
H 0.689843 3.179417 1.429742
H 5.047226 -1.497481 -0.234089
H -2.425766 -3.693321 -1.695585
H 0.088037 -1.912661 0.682946
H -3.211541 -0.578096 2.215335
H 4.109289 -3.602483 0.748516
H -3.080716 -4.606487 0.542588
H 1.656382 -3.817267 1.207282
H -3.469044 -3.077722 2.487221


