%chk=000271406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271406

0 1
S 0.994780 -0.782098 -0.178555
O 1.359213 -1.143965 -1.539892
O 1.350902 -1.713372 0.881021
N 4.170964 0.306646 0.088480
N 1.669938 0.720342 0.177246
N 3.216470 2.395753 0.577105
N -5.967059 0.639460 0.131158
C -0.706560 -0.440605 -0.104200
C -1.380042 -0.029145 -1.256888
C -1.387810 -0.582063 1.107194
C 2.929041 1.080621 0.266437
C -2.748704 0.251018 -1.203336
C -2.756509 -0.305219 1.174920
C -3.430357 0.113575 0.016462
C 4.304207 -0.767987 1.113433
C 4.312233 -0.198885 -1.307068
C -4.836707 0.404417 0.079878
H -0.841258 0.066352 -2.207692
H -0.855124 -0.918931 2.005057
H -3.280883 0.571770 -2.099561
H -3.294750 -0.414443 2.117088
H 3.531782 -1.562311 1.065582
H 4.264682 -0.320584 2.119752
H 5.291209 -1.244807 0.999285
H 4.278112 0.650073 -2.008863
H 3.540904 -0.930405 -1.623001
H 5.299301 -0.677877 -1.411210
H 2.474280 3.059676 0.730758
H 4.170444 2.711095 0.654407


%chk=000271406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271406

0 1
S 0.947910 -0.790719 -0.717872
O 1.094615 -1.071507 -2.321379
O 1.337913 -1.978613 0.344611
N 3.961702 0.040150 0.151579
N 1.657240 0.857003 -0.256708
N 3.095168 2.004644 1.126417
N -6.086932 0.811979 0.421637
C -0.863959 -0.348408 -0.415192
C -1.576026 0.278907 -1.449612
C -1.433406 -0.709655 0.815373
C 2.893347 0.897833 0.302331
C -2.935555 0.579196 -1.229275
C -2.794381 -0.410776 1.029470
C -3.545828 0.241143 0.011655
C 5.032088 -0.052779 1.163905
C 4.066160 -0.914077 -0.970897
C -4.934912 0.551289 0.234952
H -1.084340 0.503257 -2.400859
H -0.830606 -1.228484 1.567618
H -3.527235 1.069441 -2.008034
H -3.278390 -0.678211 1.973447
H 5.241240 -1.117950 1.370016
H 4.709438 0.423342 2.102872
H 5.970264 0.422696 0.814055
H 3.431636 -0.596778 -1.814679
H 3.750140 -1.927567 -0.662976
H 5.116741 -0.941943 -1.313014
H 2.260987 2.545935 1.349682
H 3.997681 2.478750 1.145875


