%chk=000280414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280414

0 1
S 1.990537 -1.776753 -1.355515
O 2.752343 -1.918617 -2.583802
O 1.563366 -2.957044 -0.650759
N -0.289805 -0.577910 -0.952691
N 0.593337 -0.905177 -1.934814
C -2.607207 1.674329 -2.548804
C -3.702073 1.844581 -1.489576
C -2.066118 0.239878 -2.547093
C -3.358347 1.219983 -0.164295
C -2.312572 0.282141 -0.024742
C -1.468188 -0.065943 -1.194470
C -4.135026 1.557993 0.955337
C -2.084083 -0.316528 1.226517
C -3.889456 0.967286 2.195955
C -2.865978 0.024260 2.331010
C 2.777205 -0.684507 -0.293972
C 2.261062 -0.439707 0.984113
C 3.948610 -0.036370 -0.707728
C 4.090069 1.089518 1.436399
C 2.912534 0.442000 1.847205
C 4.604473 0.844473 0.149722
C 4.781543 2.043429 2.351342
H -3.002955 1.932458 -3.548775
H -1.778423 2.384014 -2.351226
H -4.648791 1.387988 -1.853473
H -3.922232 2.924063 -1.357659
H -1.334122 0.111735 -3.367049
H -2.882958 -0.483831 -2.754069
H -4.938795 2.285080 0.856706
H -1.289690 -1.058619 1.332490
H -4.498380 1.238018 3.056824
H -2.680204 -0.446217 3.294211
H 0.334474 -0.875272 -2.930705
H 1.340994 -0.938616 1.310496
H 4.353684 -0.226127 -1.709714
H 2.503830 0.628990 2.838416
H 5.514687 1.343122 -0.177291
H 5.865656 2.085655 2.176082
H 4.393332 3.064992 2.211668
H 4.638866 1.789251 3.411128


%chk=000280414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280414

0 1
S 1.887260 -1.732295 -1.150043
O 2.628010 -2.094494 -2.556407
O 1.226465 -2.869736 -0.193329
N -0.416330 -0.218329 -0.810297
N 0.554712 -0.412995 -1.754972
C -3.055182 1.785859 -2.619270
C -4.272309 1.308822 -1.800479
C -1.918357 0.741953 -2.559131
C -3.885764 1.001581 -0.360289
C -2.573793 0.527793 -0.049084
C -1.583517 0.324007 -1.131931
C -4.823097 1.166256 0.687691
C -2.242663 0.224654 1.302418
C -4.487648 0.863148 2.024195
C -3.187689 0.387965 2.330154
C 3.007779 -0.661338 -0.096185
C 2.813061 -0.670190 1.293419
C 4.011098 0.081894 -0.737138
C 4.704198 0.903593 1.484349
C 3.677489 0.123169 2.079183
C 4.862289 0.864563 0.072801
C 5.605131 1.775787 2.339156
H -3.341613 1.962261 -3.672614
H -2.690414 2.747383 -2.209862
H -4.692092 0.396668 -2.275820
H -5.075633 2.068354 -1.821231
H -1.005107 1.143147 -3.042503
H -2.217031 -0.158513 -3.141101
H -5.827761 1.536322 0.448721
H -1.235557 -0.145313 1.516116
H -5.227956 0.997619 2.820749
H -2.919086 0.148142 3.364852
H 0.278320 -0.784300 -2.693379
H 2.029160 -1.291182 1.737958
H 4.133436 0.031048 -1.823652
H 3.552990 0.134282 3.168016
H 5.660245 1.450278 -0.397682
H 6.599482 1.907478 1.878711
H 5.166124 2.784090 2.468318
H 5.746550 1.348568 3.346993


