%chk=000277890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277890

0 1
S -0.616195 -2.101556 0.361817
O -1.167288 -2.880427 1.456195
O -0.300670 -2.759761 -0.879914
N 0.854506 -1.499578 1.081492
N 1.524767 -0.604025 0.300521
C 3.389215 0.817141 -0.284297
C 3.791393 2.058138 0.540578
C 4.614211 0.177112 -0.947962
C 2.724202 -0.209973 0.612524
C 2.576296 2.826640 1.051100
C -1.575201 -0.707810 0.083140
C -1.308659 0.128980 -1.006335
C -2.637437 -0.409918 0.947658
C -3.166406 1.555252 -0.373269
C -2.099918 1.255911 -1.236422
C -3.430813 0.712522 0.723288
C -4.024227 2.752691 -0.609338
H 2.675620 1.137435 -1.087128
H 4.434387 1.759245 1.390529
H 4.416830 2.723354 -0.087005
H 4.331166 -0.722402 -1.509652
H 5.088798 0.866321 -1.654832
H 5.373160 -0.119771 -0.216475
H 3.323530 -0.544577 1.465282
H 1.956541 3.197626 0.226573
H 2.876735 3.690421 1.653888
H 1.932939 2.194210 1.675806
H -0.475735 -0.097675 -1.682632
H -2.847851 -1.066385 1.801315
H 1.305963 -1.971448 1.877016
H -1.887113 1.900073 -2.087198
H -4.256610 0.937802 1.395167
H -5.058048 2.458322 -0.848237
H -4.072630 3.397265 0.281062
H -3.670359 3.378846 -1.439454


%chk=000277890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277890

0 1
S -0.597748 -2.000090 0.164402
O -1.166956 -3.046185 1.274614
O -0.110518 -2.486902 -1.307405
N 0.829338 -1.152426 1.139376
N 1.626315 -0.380771 0.312853
C 3.745448 0.757196 -0.207700
C 4.176059 2.023312 0.593451
C 4.986945 -0.029554 -0.706668
C 2.876065 -0.146828 0.635970
C 2.998491 2.944868 0.974620
C -1.792134 -0.572349 -0.041465
C -1.736605 0.174755 -1.226740
C -2.712516 -0.330500 0.991309
C -3.614864 1.523715 -0.363732
C -2.663393 1.231601 -1.375030
C -3.627164 0.728289 0.815017
C -4.614641 2.652484 -0.536206
H 3.141504 1.077592 -1.078220
H 4.718965 1.704465 1.507600
H 4.906676 2.585942 -0.021507
H 4.689860 -0.916321 -1.293642
H 5.616944 0.614515 -1.347292
H 5.609579 -0.371037 0.142721
H 3.343781 -0.581652 1.545641
H 2.467003 3.300193 0.072215
H 3.352618 3.831024 1.532302
H 2.260454 2.416792 1.605067
H -1.006855 -0.069600 -2.004421
H -2.719785 -0.959117 1.887421
H 1.268014 -1.912203 1.709147
H -2.644479 1.835195 -2.289266
H -4.360711 0.939615 1.601771
H -5.647272 2.260944 -0.601767
H -4.585655 3.348326 0.322299
H -4.417662 3.234713 -1.451934


