%chk=000211419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211419

0 1
S 3.386533 2.106984 0.439320
O 4.590661 2.781325 0.012042
O 2.705599 2.468694 1.655034
O -3.580310 0.369208 1.061803
O -8.395772 -0.926157 1.340578
O -7.798229 -1.508411 -0.736947
O 5.413286 -4.204662 -0.100523
O 3.596989 -4.520950 1.034482
N 2.328643 2.296533 -0.899888
N -3.121334 0.787382 -1.157222
N 4.409782 -3.812007 0.468312
C 3.676476 0.386564 0.457290
C 0.946488 1.952532 -0.918075
C -1.747676 1.184785 -1.035862
C 0.324110 1.745211 -2.167900
C 0.202794 1.800539 0.266543
C 4.824215 -0.115784 -0.162308
C 2.773564 -0.468731 1.092031
C -1.012932 1.364918 -2.226008
C -1.132579 1.410618 0.208366
C -5.361051 0.017247 -0.534114
C 5.072646 -1.491472 -0.161699
C 3.007100 -1.848492 1.100327
C -3.957687 0.399195 -0.093274
C 4.154893 -2.341352 0.468782
C -6.248976 -0.231338 0.683529
C -7.503154 -0.951501 0.294256
H 2.671927 2.778685 -1.741207
H 0.885107 1.877180 -3.091298
H 0.644041 2.024495 1.245939
H 5.539685 0.565181 -0.642868
H 1.881921 -0.071274 1.593635
H -1.479481 1.206216 -3.197145
H -1.701975 1.287718 1.138945
H -5.326527 -0.899028 -1.170125
H -5.809448 0.803498 -1.177531
H -3.488086 0.770465 -2.110016
H 5.966862 -1.905138 -0.641978
H 2.308406 -2.536027 1.591664
H -5.698191 -0.823482 1.458894
H -6.489636 0.721006 1.209859
H -9.242583 -1.408376 1.136856


%chk=000211419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211419

0 1
S 3.490199 2.212561 0.728595
O 4.911855 2.913985 0.367543
O 2.734382 2.379937 2.156016
O -3.930945 1.084645 1.156191
O -8.763117 -0.496931 0.679054
O -7.323674 -2.242632 0.159880
O 5.158772 -4.207384 -0.923824
O 3.325319 -4.614847 0.371944
N 2.199865 2.917873 -0.643541
N -2.901570 0.434131 -0.852029
N 4.177419 -3.820587 -0.181557
C 3.708081 0.340315 0.460493
C 0.953787 2.249409 -0.691178
C -1.627355 1.050159 -0.748982
C 0.572769 1.404948 -1.777042
C 0.027228 2.462849 0.371581
C 4.777105 -0.087950 -0.346843
C 2.791613 -0.530659 1.076407
C -0.709195 0.837329 -1.816996
C -1.242832 1.864551 0.355890
C -5.163087 -0.400258 -0.368944
C 4.937517 -1.473050 -0.554488
C 2.948848 -1.915835 0.862283
C -3.962956 0.452988 0.060837
C 4.014139 -2.357638 0.046904
C -6.456745 0.071156 0.315219
C -7.505653 -1.019841 0.357092
H 2.756089 2.842165 -1.518082
H 1.277154 1.215758 -2.596557
H 0.321779 3.114483 1.199269
H 5.477632 0.640985 -0.767182
H 2.000799 -0.137063 1.722342
H -0.998491 0.212992 -2.671850
H -1.950508 2.029699 1.169574
H -4.972527 -1.452173 -0.075181
H -5.277960 -0.401472 -1.469662
H -3.058959 -0.112031 -1.703314
H 5.754310 -1.874421 -1.159611
H 2.274088 -2.647557 1.313467
H -6.221001 0.372473 1.355497
H -6.883589 0.968003 -0.165917
H -9.424484 -1.239066 0.739201


