%chk=000271677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271677

0 1
S 0.443780 1.112181 -1.594379
O -3.062517 0.289076 -2.479679
O -0.413860 0.183730 1.502561
O -0.160272 2.112946 -0.727797
O 0.478079 1.308746 -3.026507
O -4.118256 2.863690 1.168232
O 5.733038 -0.446970 2.402315
N -0.550489 -0.291738 -1.324074
N -3.616308 1.550374 -0.662975
N -2.314965 1.434238 1.380605
N 5.906524 -0.449270 0.099248
C -1.761609 -0.182763 -0.490452
C -2.257577 -1.582370 -0.121004
C -2.846346 0.563397 -1.320489
C -1.386978 0.504146 0.853375
C -3.396575 2.029414 0.664989
C -3.579422 -1.988222 -0.344287
C -1.345058 -2.474141 0.467240
C 2.000495 0.653053 -1.065695
C -4.654978 2.272610 -1.454198
C -1.995139 2.043367 2.705602
C -3.982499 -3.277988 0.017065
C -1.752666 -3.760796 0.823359
C 2.308238 0.549744 0.298022
C 2.996212 0.390080 -2.021149
C -3.072817 -4.165409 0.598727
C 3.587006 0.186986 0.712777
C 4.277884 0.027493 -1.629846
C 4.579989 -0.076385 -0.248066
C 6.419359 -0.614024 1.420237
C 7.866955 -1.008246 1.450377
H -0.702517 -0.940730 -2.114397
H -4.308779 -1.321024 -0.804923
H -0.316437 -2.148541 0.654079
H -5.008769 1.634094 -2.283911
H -4.237159 3.200643 -1.882475
H -5.510007 2.537132 -0.806701
H -1.289599 2.884388 2.584939
H -1.530251 1.285402 3.360963
H -2.918066 2.419143 3.182906
H -5.011543 -3.589363 -0.159085
H -1.040840 -4.447608 1.279527
H 1.537636 0.754941 1.058412
H 2.761668 0.478162 -3.091082
H -3.391111 -5.168970 0.877511
H 3.812315 0.108080 1.783659
H 5.036129 -0.170185 -2.383039
H 6.544330 -0.608444 -0.685965
H 8.055782 -1.972055 0.957744
H 8.201836 -1.118322 2.497717
H 8.522153 -0.256093 0.989391


%chk=000271677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271677

0 1
S 0.449729 0.881791 -1.688013
O -2.825933 0.305976 -2.543463
O -0.423764 0.110745 1.598828
O -0.219641 2.108462 -0.829846
O 0.534997 0.960203 -3.311968
O -4.161377 2.834638 1.131294
O 6.046973 -0.491416 2.404043
N -0.565267 -0.663443 -1.148105
N -3.536362 1.539025 -0.697695
N -2.349522 1.376478 1.400877
N 6.163865 -0.237796 0.071280
C -1.799896 -0.264948 -0.411235
C -2.486923 -1.612700 -0.030665
C -2.739743 0.569077 -1.313833
C -1.424000 0.443162 0.911335
C -3.396428 1.961465 0.647911
C -3.811670 -1.922965 -0.423123
C -1.736014 -2.551632 0.722949
C 2.188387 0.494274 -1.078204
C -4.529034 2.281605 -1.514763
C -2.103144 1.911104 2.763551
C -4.385745 -3.159055 -0.049508
C -2.314161 -3.785009 1.087403
C 2.437911 0.300322 0.289388
C 3.188458 0.446333 -2.064639
C -3.641266 -4.092467 0.705380
C 3.763825 0.050718 0.699682
C 4.508077 0.200218 -1.646978
C 4.806660 0.003036 -0.268875
C 6.723905 -0.464903 1.337059
C 8.235056 -0.679623 1.331743
H -0.850755 -1.084041 -2.060845
H -4.397035 -1.223677 -1.027985
H -0.710876 -2.304346 1.013459
H -4.585396 1.789061 -2.495680
H -4.205977 3.327785 -1.640399
H -5.505583 2.271347 -1.007188
H -1.194122 2.535111 2.762464
H -1.955149 1.071453 3.459855
H -2.973488 2.514690 3.054025
H -5.411342 -3.392551 -0.355158
H -1.729013 -4.506229 1.668144
H 1.622595 0.317600 1.019550
H 2.934602 0.601760 -3.117698
H -4.088649 -5.051239 0.989646
H 4.002000 -0.109872 1.752096
H 5.309471 0.161223 -2.395025
H 6.817821 -0.242514 -0.714658
H 8.691761 -0.652579 0.327217
H 8.458731 -1.654352 1.797988
H 8.708447 0.096295 1.957785


