%chk=000270127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270127

0 1
S -4.318210 1.207164 0.218875
O -4.491929 1.244127 1.660717
O -4.945863 2.211125 -0.621957
O 3.689584 0.717602 -0.899275
O 2.456871 0.260605 0.999390
N -4.918110 -0.288448 -0.376306
N 1.481774 0.973479 -1.030728
C -5.126987 -1.421472 0.569645
C -6.318946 -1.202698 1.527471
C -5.305044 -2.725001 -0.241984
C -7.671904 -1.282454 0.814822
C -6.669596 -2.814291 -0.936832
C -7.823613 -2.605885 0.052730
C -2.630592 1.136289 -0.126371
C -1.723385 0.776162 0.877149
C -2.165131 1.450331 -1.408549
C -0.358031 0.711436 0.609732
C -0.804779 1.395333 -1.701263
C 0.101680 1.019850 -0.683940
C 4.506968 -2.050021 -0.602707
C 5.369386 -0.889311 -0.154777
C 4.918270 0.435479 -0.247623
C 5.311240 -3.080051 -1.403937
C 3.837430 -2.686762 0.620895
C 6.646691 -1.070900 0.397642
C 5.654414 1.544195 0.169082
C 6.932541 1.329409 0.706624
C 7.417342 0.014996 0.817842
C 2.518478 0.607775 -0.152482
C 7.750544 2.490589 1.164662
H -4.192017 -1.513319 1.186348
H -6.274157 -1.963993 2.329698
H -6.213254 -0.225657 2.048046
H -4.495578 -2.808571 -0.992873
H -5.180143 -3.584596 0.444245
H -7.786703 -0.428852 0.119732
H -8.488755 -1.176859 1.554235
H -6.770721 -3.799221 -1.430934
H -6.730129 -2.063431 -1.747963
H -7.857494 -3.447853 0.770592
H -8.789711 -2.623660 -0.484982
H -5.678314 -0.228192 -1.069593
H -2.086027 0.551527 1.888978
H -2.872606 1.751853 -2.190522
H 0.344938 0.428833 1.401196
H -0.455773 1.642949 -2.700799
H 3.702955 -1.650747 -1.277110
H 6.046627 -3.603172 -0.783285
H 4.651760 -3.842605 -1.833206
H 5.852886 -2.606053 -2.230442
H 3.259743 -1.939517 1.186855
H 3.151248 -3.487760 0.329879
H 4.571691 -3.113936 1.311940
H 1.746651 1.236844 -1.987933
H 7.041957 -2.082305 0.502604
H 5.240196 2.544888 0.073292
H 8.404495 -0.162020 1.241728
H 8.784365 2.213639 1.409474
H 7.316142 2.944654 2.068688
H 7.801535 3.278979 0.399967


%chk=000270127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270127

0 1
S -4.440833 1.328660 0.305011
O -4.565469 1.361719 1.936105
O -5.076595 2.502116 -0.632123
O 3.727571 0.695529 -0.917627
O 2.526125 0.271658 1.082223
N -5.142701 -0.245740 -0.431324
N 1.489642 0.920633 -0.952755
C -5.288804 -1.389860 0.527391
C -6.492367 -1.258743 1.501818
C -5.399342 -2.685236 -0.324630
C -7.850518 -1.369665 0.768014
C -6.761665 -2.797478 -1.051309
C -7.942863 -2.675963 -0.057428
C -2.612456 1.159247 -0.074817
C -1.738526 0.838217 0.975000
C -2.174816 1.409850 -1.386287
C -0.357656 0.745087 0.707707
C -0.796822 1.320395 -1.650243
C 0.117092 0.984482 -0.610899
C 4.591783 -2.116387 -0.482996
C 5.440789 -0.900887 -0.106407
C 4.997136 0.430923 -0.285501
C 5.338320 -3.055911 -1.466115
C 4.133943 -2.883455 0.787723
C 6.732779 -1.049565 0.459694
C 5.771121 1.553750 0.057442
C 7.059502 1.386758 0.620020
C 7.525998 0.061777 0.814718
C 2.555695 0.594747 -0.124306
C 7.897238 2.590567 1.013924
H -4.347887 -1.427396 1.109798
H -6.416768 -2.079032 2.244417
H -6.408680 -0.308451 2.059296
H -4.564646 -2.715204 -1.047737
H -5.281354 -3.547726 0.362679
H -7.995973 -0.496766 0.095335
H -8.673447 -1.320372 1.505815
H -6.813592 -3.761771 -1.591730
H -6.841713 -2.003955 -1.822523
H -7.923532 -3.542590 0.635694
H -8.906234 -2.720877 -0.600864
H -6.051057 0.073490 -0.824189
H -2.130520 0.689613 1.986474
H -2.887192 1.683685 -2.170085
H 0.349000 0.498586 1.502247
H -0.426812 1.513631 -2.664192
H 3.684685 -1.752957 -1.002043
H 6.246145 -3.485445 -1.003475
H 4.684735 -3.897507 -1.761276
H 5.646015 -2.518086 -2.380914
H 3.582482 -2.214248 1.470475
H 3.474827 -3.727889 0.512611
H 5.002747 -3.295358 1.334562
H 1.751008 1.150665 -1.914470
H 7.125681 -2.059592 0.623553
H 5.360199 2.554457 -0.116294
H 8.519725 -0.099028 1.249031
H 8.926275 2.294591 1.280144
H 7.462206 3.110218 1.888796
H 7.957274 3.328588 0.193249


