%chk=000207321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207321

0 1
S 0.345892 2.613777 0.605082
O 2.875892 -1.457546 -0.602134
O 4.248578 0.317385 -0.328622
N -2.229618 -0.536543 -0.069407
N 3.064989 2.764628 0.357686
C -1.242710 -1.588246 0.351760
C 0.139303 -1.294601 -0.261179
C -1.852693 0.835282 0.431957
C 0.548130 0.109748 0.022586
C -0.388369 1.049384 0.334811
C -3.610073 -0.905292 0.391765
C -4.650763 -0.081027 -0.385153
C 1.907106 0.612372 -0.010029
C 1.967240 1.977534 0.288275
C -6.073509 -0.581247 -0.103183
C 3.108723 -0.132017 -0.309701
C -7.116684 0.242718 -0.854705
C 4.039687 -2.296001 -0.893534
C 4.710355 -2.707374 0.400963
H -1.607272 -2.567576 -0.027191
H -1.149604 -1.673688 1.455781
H 0.110961 -1.441481 -1.364777
H 0.894196 -2.017963 0.116018
H -2.195120 1.018489 1.477677
H -2.394575 1.558168 -0.225930
H -3.753937 -0.775988 1.485699
H -3.768826 -1.985649 0.176361
H -4.430511 -0.140565 -1.470827
H -4.568409 0.990738 -0.125556
H -6.280629 -0.542934 0.984118
H -6.163260 -1.646983 -0.392423
H -6.958108 0.200846 -1.938764
H -8.129766 -0.124779 -0.657038
H -7.086688 1.298192 -0.561356
H 3.985367 2.358650 0.157244
H 3.013331 3.748138 0.554123
H 3.559200 -3.137094 -1.424712
H 4.718390 -1.739870 -1.565069
H 5.491363 -3.456324 0.229246
H 5.182186 -1.841522 0.890530
H 3.989338 -3.126939 1.113509


%chk=000207321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207321

0 1
S 0.300804 2.649427 0.535595
O 2.988138 -1.488018 -0.594028
O 4.283422 0.443879 -0.381097
N -2.267133 -0.595499 -0.015465
N 3.056177 2.754440 0.194077
C -1.313064 -1.625304 0.476443
C 0.099514 -1.414030 -0.105767
C -1.903396 0.759320 0.479995
C 0.534098 0.028579 0.065002
C -0.419986 0.975348 0.349365
C -3.675256 -0.940484 0.301722
C -4.708127 -0.029332 -0.392775
C 1.891195 0.570232 -0.032173
C 1.938453 1.967811 0.203106
C -6.155775 -0.535798 -0.196747
C 3.134978 -0.119371 -0.334230
C -7.205396 0.389839 -0.848606
C 4.243170 -2.240259 -0.892180
C 4.918901 -2.711346 0.399314
H -1.694257 -2.615930 0.167389
H -1.255026 -1.624468 1.596629
H 0.108693 -1.679394 -1.179812
H 0.817175 -2.090642 0.390188
H -2.221909 0.896682 1.550695
H -2.453997 1.513499 -0.113929
H -3.861719 -0.925029 1.410115
H -3.841058 -1.981818 -0.037513
H -4.467179 0.018010 -1.473032
H -4.639099 1.005138 -0.000573
H -6.368734 -0.630645 0.888064
H -6.246861 -1.556011 -0.622506
H -7.028066 0.484806 -1.936397
H -8.231021 0.002879 -0.705254
H -7.163560 1.405942 -0.412633
H 3.936314 2.252466 -0.008810
H 3.021038 3.757031 0.356102
H 3.896459 -3.085647 -1.508732
H 4.914741 -1.589447 -1.478548
H 5.798594 -3.336430 0.156031
H 5.262622 -1.848871 0.994356
H 4.225235 -3.314751 1.010521


