%chk=000195480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195480

0 1
S 0.159696 0.907044 -2.082242
O 0.819985 -1.838521 1.150793
O -1.140040 -2.014947 2.237960
O 3.403548 -0.816704 -2.649740
O 1.540813 -1.928807 -2.095247
O 3.008419 -0.864675 1.879404
N -1.551663 -0.058787 -0.128607
N 3.610975 0.125148 -0.091757
C -1.076646 -1.454807 -0.182142
C -2.204043 -2.452065 -0.592125
C -1.057328 1.013128 -0.887510
C -1.803430 2.161896 -0.533422
C -2.578686 0.370403 0.690123
C -2.763920 1.756310 0.466357
C -2.735871 -2.095952 -1.979883
C -1.643094 -3.875393 -0.567818
C -0.539842 -1.804403 1.214457
C -1.758262 3.516535 -0.965896
C -3.659132 2.709867 1.023626
C 1.710128 1.290654 -1.204095
C 2.272956 -0.028483 -0.686470
C -2.637335 4.409944 -0.408665
C -3.587916 4.008594 0.588159
C 2.310374 -1.036015 -1.841599
C 3.882812 -0.349363 1.199900
C 5.295947 -0.153172 1.660932
H -0.232471 -1.551251 -0.942702
H -3.036710 -2.376800 0.152372
H -3.100970 -0.273262 1.379919
H -3.521008 -2.793893 -2.292922
H -1.946785 -2.132052 -2.742640
H -3.168028 -1.087624 -2.009270
H -0.752889 -3.978277 -1.203270
H -1.368459 -4.195349 0.444533
H -2.383506 -4.595097 -0.937959
H -1.039697 3.810267 -1.727284
H -4.374958 2.391962 1.777602
H 2.383857 1.787428 -1.929041
H 1.544741 2.008845 -0.378457
H 1.579354 -0.458628 0.116605
H -2.633378 5.454846 -0.715838
H -4.255973 4.767137 0.991032
H 1.300585 -1.925862 2.033701
H 4.339477 0.494578 -0.697897
H 5.408261 -0.520346 2.696179
H 6.019094 -0.707421 1.046629
H 5.596488 0.903725 1.664674
H 3.444630 -1.446453 -3.418862


%chk=000195480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195480

0 1
S 0.223961 0.530840 -2.138582
O 0.841542 -2.004717 0.441220
O -0.745477 -1.765588 2.133140
O 4.520416 0.763297 -2.522172
O 3.056847 -0.755130 -3.510287
O 3.028238 -1.414294 1.588268
N -1.795315 -0.163768 -0.257961
N 3.891207 -0.019370 -0.081935
C -1.414949 -1.600426 -0.250520
C -2.630728 -2.563215 -0.171031
C -1.151997 0.838147 -1.024011
C -1.782364 2.070083 -0.713229
C -2.785307 0.398244 0.533420
C -2.818591 1.789221 0.277893
C -3.600279 -2.330806 -1.352278
C -2.125095 -4.025892 -0.152414
C -0.427171 -1.808928 0.922167
C -1.574012 3.407160 -1.172848
C -3.625929 2.852240 0.791433
C 1.710494 0.836812 -0.941324
C 2.835007 -0.228987 -1.097813
C -2.378100 4.425289 -0.652342
C -3.398949 4.150331 0.326557
C 3.446456 -0.152573 -2.496095
C 3.922671 -0.607435 1.158865
C 5.110374 -0.255078 2.039878
H -0.859250 -1.783335 -1.186286
H -3.159994 -2.376899 0.784672
H -3.367430 -0.205563 1.223555
H -4.472724 -3.003867 -1.267321
H -3.100945 -2.545469 -2.316192
H -3.972563 -1.292038 -1.384588
H -1.548088 -4.257422 -1.067685
H -1.482111 -4.228745 0.722480
H -2.982302 -4.721333 -0.108007
H -0.803509 3.615974 -1.923553
H -4.404220 2.649789 1.535805
H 2.095746 1.852885 -1.128177
H 1.291973 0.769804 0.073575
H 2.379449 -1.224639 -0.969452
H -2.237555 5.458017 -0.992167
H -4.004473 4.980663 0.707394
H 1.644844 -1.884601 1.087639
H 4.646413 0.616280 -0.353155
H 4.740691 0.188535 2.979895
H 5.645088 -1.182462 2.306689
H 5.817625 0.444610 1.564487
H 4.880484 0.838261 -3.446008


