%chk=000277879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277879

0 1
S 0.977558 -1.864465 -0.051375
O -4.862936 1.415236 0.569480
O 0.720633 -2.213295 -1.434352
O 1.249384 -2.873488 0.947722
N -1.625361 -1.472082 -0.070139
N -0.411373 -0.921047 0.474355
C -2.848086 -0.634866 0.253402
C -2.684674 0.821474 -0.272341
C -3.080644 -0.638632 1.768988
C -4.010144 -1.333089 -0.471765
C -3.890927 1.709132 -0.089367
C 2.218993 -0.668443 0.029126
C -3.807922 3.034813 -0.801255
C 3.114331 -0.661956 1.105897
C 2.347722 0.281974 -0.988616
C 4.250347 1.260217 0.155722
C 4.123369 0.296659 1.173661
C 3.355669 1.245372 -0.927726
C 5.338297 2.277781 0.229045
H -1.813794 1.289643 0.236636
H -2.399161 0.798447 -1.342585
H -2.324263 -0.073123 2.318383
H -3.093295 -1.662080 2.164253
H -4.056669 -0.182755 2.003798
H -3.917900 -1.298213 -1.560313
H -4.080279 -2.390128 -0.181464
H -4.965908 -0.858942 -0.202491
H -1.508751 -1.518020 -1.107315
H -0.520487 -0.891079 1.510915
H -3.945080 2.912829 -1.883685
H -4.601415 3.715247 -0.456301
H -2.848774 3.540467 -0.646609
H 3.027598 -1.419796 1.894517
H 1.662670 0.268092 -1.842842
H 4.817946 0.296258 2.011774
H 3.450980 1.980348 -1.724529
H 6.322077 1.814007 0.053305
H 5.227402 3.080705 -0.512259
H 5.384167 2.757996 1.217650


%chk=000277879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277879

0 1
S 0.760562 -0.685921 1.165461
O -4.651535 -0.409399 -1.114549
O 0.251155 1.063832 1.401987
O -0.167551 -1.377238 -0.025857
N -2.272482 1.210999 2.300137
N -2.568064 2.001210 3.256724
C -3.338877 0.546133 1.401503
C -2.847218 0.870425 -0.042718
C -4.766116 1.055262 1.665101
C -3.209583 -0.971248 1.712302
C -3.455061 -0.009283 -1.149496
C 2.339776 -0.208868 0.257102
C -2.506350 -0.370577 -2.274578
C 2.547214 -0.773620 -1.012452
C 3.272378 0.654075 0.859632
C 4.711146 0.403408 -1.129882
C 3.739095 -0.461286 -1.700275
C 4.459216 0.955300 0.153746
C 5.979240 0.747213 -1.891003
H -3.090211 1.926854 -0.284169
H -1.748407 0.778259 -0.090314
H -4.853084 2.153547 1.547513
H -5.141921 0.768227 2.666291
H -5.422067 0.588907 0.911503
H -2.222596 -1.360519 1.406707
H -3.363258 -1.164673 2.788929
H -3.983227 -1.516992 1.146877
H -0.688361 1.071803 1.875245
H -3.619674 2.156055 3.353707
H -1.671490 -0.964917 -1.849890
H -3.027591 -0.936597 -3.061593
H -2.046988 0.540866 -2.703790
H 1.777211 -1.424507 -1.442787
H 3.071027 1.104384 1.836619
H 3.918029 -0.893987 -2.691911
H 5.194618 1.631383 0.605049
H 5.770513 1.477163 -2.696770
H 6.742727 1.192334 -1.230403
H 6.419107 -0.146811 -2.368400


