%chk=000216943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216943

0 1
S 0.455933 -0.883119 1.383464
S -0.455235 0.947995 1.338898
N 4.047559 -0.104795 -0.352617
N -4.047391 0.086097 -0.356208
N 3.565913 2.175321 -0.977703
N -3.568185 -2.221665 -0.871226
N 5.858854 1.397392 -0.812409
N -5.860580 -1.436299 -0.736369
C 2.989559 -0.103297 0.709389
C -2.988798 0.135637 0.704093
C 5.048500 -1.208259 -0.201433
C -5.047274 1.196560 -0.258740
C 1.767387 -0.826208 0.141465
C -1.767048 0.830652 0.101517
C 5.883989 -1.159297 1.075154
C -5.881076 1.212068 1.019792
C 4.578808 1.185878 -0.715665
C -4.580256 -1.220570 -0.654337
H 2.730126 0.932195 1.028673
H 3.352083 -0.611033 1.634289
H -2.729000 -0.883411 1.072254
H -3.350874 0.686962 1.603878
H 4.474581 -2.159935 -0.255872
H 5.721409 -1.178000 -1.091153
H -5.721400 1.122682 -1.144955
H -4.472612 2.143827 -0.361225
H 1.424503 -0.364582 -0.802476
H 2.008927 -1.880754 -0.112810
H -1.424296 0.323991 -0.819086
H -2.008990 1.871604 -0.203346
H 6.583737 -2.000423 1.119845
H 5.270051 -1.185982 1.980983
H 6.486621 -0.237075 1.109926
H -5.265824 1.282943 1.922360
H -6.579785 2.055224 1.023602
H -6.484681 0.293413 1.101155
H 3.824796 2.899372 -1.634888
H 2.626797 1.841353 -1.153306
H -3.828831 -2.976469 -1.492081
H -2.629527 -1.896658 -1.065120
H 6.194354 2.277578 -1.187199
H -6.197425 -2.333614 -1.066713


%chk=000216943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216943

0 1
S 0.172286 -1.077275 1.906331
S -0.172422 1.182729 1.840403
N 3.787477 -0.321132 -0.056483
N -3.785892 0.317364 -0.080685
N 2.711725 1.749458 -0.543414
N -2.715806 -1.778966 -0.454436
N 4.683550 1.023690 -1.760883
N -4.698007 -1.124349 -1.695290
C 2.867356 -0.554867 1.056965
C -2.864228 0.609134 1.018093
C 4.845513 -1.319647 -0.331755
C -4.845662 1.299300 -0.404174
C 1.527817 -1.168828 0.575637
C -1.524381 1.194209 0.503097
C 6.157484 -1.029415 0.427824
C -6.149310 1.058252 0.386363
C 3.756809 0.850806 -0.832171
C -3.763012 -0.898200 -0.786694
H 2.666636 0.382729 1.610808
H 3.344431 -1.238720 1.781162
H -2.663829 -0.297503 1.621592
H -3.339202 1.332004 1.704858
H 4.450778 -2.319037 -0.062424
H 5.043599 -1.299793 -1.416318
H -5.055657 1.213054 -1.483178
H -4.446874 2.312727 -0.201491
H 1.151722 -0.655537 -0.324485
H 1.627542 -2.246351 0.349692
H -1.144956 0.628066 -0.363197
H -1.624556 2.256078 0.212639
H 6.911075 -1.809158 0.209108
H 5.998196 -1.003186 1.522291
H 6.558158 -0.055403 0.101265
H -5.977634 1.097702 1.478608
H -6.904257 1.824970 0.129728
H -6.555092 0.067142 0.123902
H 2.713515 2.643654 -1.025541
H 1.991306 1.597289 0.164274
H -2.723367 -2.701620 -0.879475
H -1.989536 -1.584107 0.236443
H 4.548875 1.888291 -2.314301
H -4.566769 -2.018257 -2.200891


