%chk=000291145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291145

0 1
S 0.224150 -2.800291 0.999244
O 3.215790 4.292367 -2.731534
O 2.200361 6.282726 -3.056893
N -1.497492 3.339234 1.404326
N -3.375135 0.211580 -1.126877
N -1.302735 -0.237341 0.803585
N -3.093892 -1.955281 -2.010978
N -1.392079 -3.457471 -1.024621
N -2.819993 -4.170443 -2.772700
C -1.513166 1.922861 1.834420
C -1.901697 0.911958 0.769147
C -2.971766 1.326341 -0.230476
C -1.675804 -1.219929 -0.128935
C -2.715856 -0.993920 -1.101802
C -0.616161 3.763751 0.393700
C -2.764835 4.081062 1.616281
C -1.051250 -2.482794 -0.150840
C -0.755298 5.052716 -0.185585
C 0.473386 2.944589 -0.003933
C 0.176035 5.503652 -1.111018
C 1.394705 3.410246 -0.929894
C 1.257446 4.691105 -1.496734
C -2.420982 -3.162700 -1.921029
C 0.735770 -4.511076 0.624058
C 1.814181 -4.794200 1.614610
C 2.210040 5.213704 -2.484167
C 1.498658 -5.362331 2.859801
C 3.151843 -4.495402 1.307602
C 2.511995 -5.631296 3.783154
C 4.160201 -4.766740 2.235698
C 3.843410 -5.335549 3.473486
C 4.228459 4.692023 -3.691098
H -0.493509 1.671354 2.233988
H -2.203717 1.809036 2.704317
H -2.585264 2.172485 -0.852528
H -3.877170 1.689541 0.310569
H -4.093240 0.392920 -1.822380
H -3.392505 4.135681 0.712104
H -2.531910 5.113443 1.940727
H -3.356528 3.619244 2.423363
H -1.573902 5.707221 0.097314
H 0.601690 1.945985 0.413386
H 0.074929 6.500137 -1.553722
H 2.237646 2.779901 -1.232205
H -0.127952 -5.200966 0.708919
H 1.077135 -4.590895 -0.427483
H 0.463153 -5.589289 3.108991
H 3.404187 -4.047047 0.347749
H -2.281977 -5.020908 -2.827822
H -3.476721 -3.971406 -3.511263
H 2.262792 -6.071201 4.747485
H 5.195721 -4.532453 1.993879
H 4.630644 -5.545846 4.194427
H 3.757539 4.914410 -4.653940
H 4.763056 5.569078 -3.313017
H 4.871613 3.808025 -3.741455


%chk=000291145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291145

0 1
S 0.186616 -2.537311 1.106570
O 3.586300 3.902589 -2.258992
O 2.768593 6.043616 -2.693333
N -1.927373 3.470190 1.057929
N -3.799960 0.029887 -1.037124
N -1.653599 -0.111003 0.803053
N -3.434396 -2.181120 -1.754350
N -1.565514 -3.467484 -0.807345
N -3.005715 -4.385570 -2.404984
C -2.036822 2.134386 1.678814
C -2.324395 1.009413 0.692388
C -3.380274 1.286085 -0.387208
C -1.957345 -1.186063 -0.055324
C -3.062153 -1.130186 -0.969764
C -0.812159 3.803479 0.277762
C -2.976733 4.470369 1.302170
C -1.233913 -2.404465 -0.024050
C -0.701748 5.098980 -0.325390
C 0.253040 2.867752 0.059539
C 0.416217 5.435286 -1.101779
C 1.366226 3.220297 -0.717520
C 1.469165 4.506621 -1.312706
C -2.657528 -3.306548 -1.627775
C 0.738957 -4.332668 0.703958
C 2.008140 -4.634904 1.462334
C 2.622253 4.921131 -2.140288
C 1.960112 -5.270828 2.730020
C 3.273629 -4.288337 0.920260
C 3.148360 -5.559237 3.437997
C 4.463011 -4.574830 1.625581
C 4.403979 -5.212112 2.887428
C 4.771503 4.253056 -3.069190
H -1.118534 1.865276 2.234008
H -2.858036 2.179455 2.420139
H -2.958898 2.006001 -1.124956
H -4.258868 1.784268 0.072272
H -4.585269 0.032459 -1.690529
H -3.476566 4.787883 0.364146
H -2.571365 5.377162 1.793972
H -3.743576 4.039883 1.965710
H -1.488748 5.844746 -0.185139
H 0.210500 1.864167 0.490109
H 0.496718 6.426941 -1.560074
H 2.171829 2.497072 -0.872665
H -0.097439 -4.989004 0.987069
H 0.866362 -4.374959 -0.387985
H 0.987475 -5.537758 3.160756
H 3.321483 -3.790057 -0.055478
H -2.453496 -5.236333 -2.344666
H -3.804282 -4.310710 -3.028785
H 3.095349 -6.052928 4.414898
H 5.432714 -4.302851 1.193669
H 5.326396 -5.435686 3.435180
H 4.473228 4.505365 -4.101210
H 5.297491 5.117497 -2.629088
H 5.403058 3.353241 -3.048633


