%chk=000280412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280412

0 1
S -1.929478 -2.009003 -0.799237
O -2.626649 -3.135083 -0.204856
O -1.669859 -2.011872 -2.215410
N 0.413031 -1.018952 -0.210183
N -0.411623 -2.067795 0.066360
C 3.859842 -1.383035 1.186012
C 2.452581 -2.001395 0.989015
C 3.797979 -0.042080 0.506078
C 2.516228 0.187222 -0.062227
C 1.645690 -0.977358 0.202634
C 4.799497 0.910642 0.392393
C 2.240272 1.365143 -0.744544
C 4.516730 2.103298 -0.297525
C 3.258484 2.327489 -0.857519
C -2.654526 -0.533846 -0.315637
C -2.235933 0.677775 -0.878808
C -3.674798 -0.540359 0.644609
C -3.858468 1.872577 0.473106
C -2.834378 1.876321 -0.489464
C -4.276881 0.653298 1.037260
C -4.510313 3.150501 0.881725
H 4.645775 -2.020939 0.742198
H 4.107670 -1.278504 2.257800
H 1.973071 -2.214180 1.961181
H 2.513332 -2.958088 0.440118
H 5.783355 0.745961 0.822776
H 1.258675 1.535117 -1.183254
H 5.294991 2.859059 -0.394528
H 3.059262 3.255357 -1.390358
H -0.056944 -2.939748 0.480577
H -1.435310 0.687095 -1.627844
H -4.004804 -1.489311 1.085535
H -2.505762 2.814244 -0.932738
H -5.071524 0.641103 1.780649
H -4.878833 3.124035 1.916814
H -3.832851 4.012648 0.805772
H -5.377832 3.366562 0.237721


%chk=000280412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280412

0 1
S -1.837783 -1.812185 -0.871969
O -2.549865 -3.188855 -0.371314
O -1.401616 -1.579633 -2.421628
N 0.582656 -0.732880 -0.060200
N -0.308044 -1.705170 0.342417
C 4.018732 -1.542190 1.217574
C 2.509955 -1.939228 1.122491
C 4.115351 -0.201692 0.497477
C 2.853294 0.192309 -0.024316
C 1.850294 -0.828461 0.298584
C 5.245475 0.616875 0.304205
C 2.701752 1.403813 -0.741191
C 5.100290 1.830530 -0.411174
C 3.836712 2.220056 -0.930341
C -2.840749 -0.332452 -0.314745
C -2.715123 0.861725 -1.040721
C -3.694454 -0.486655 0.788692
C -4.374165 1.866133 0.485151
C -3.493935 1.963654 -0.624997
C -4.462321 0.630712 1.181462
C -5.228586 3.049505 0.900786
H 4.666169 -2.299090 0.737025
H 4.350826 -1.462025 2.269003
H 2.036981 -2.006913 2.121228
H 2.377324 -2.929778 0.641263
H 6.224626 0.323474 0.700100
H 1.720277 1.685851 -1.134909
H 5.971153 2.477240 -0.567030
H 3.746911 3.162067 -1.482569
H 0.030438 -2.694730 0.404031
H -2.042601 0.917544 -1.902148
H -3.763889 -1.447134 1.308994
H -3.414933 2.911382 -1.169833
H -5.138150 0.541141 2.039671
H -5.447236 3.032569 1.982458
H -4.736528 4.008611 0.663974
H -6.199538 3.037779 0.368701


