%chk=000217429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217429

0 1
S 7.430762 -0.582874 -0.586709
S 8.861754 0.564843 0.343315
O -4.301563 -1.237859 -0.261504
O 8.852770 1.866204 -0.708064
O 8.347890 1.031146 1.585476
O 10.143520 -0.036360 0.181728
N 2.365807 -1.328364 -0.137068
C -5.666672 -0.793998 -0.036126
C -6.052817 -0.129447 -1.365793
C -5.698377 0.115837 1.201893
C -5.164663 1.043503 -1.795575
C -7.021603 0.874439 1.368257
C -5.241856 2.294130 -0.907154
C -6.925723 2.370209 1.030320
C -6.658872 2.674912 -0.451618
C -3.848333 -2.295844 0.616167
C -2.456484 -2.652153 0.091225
C -1.403151 -1.624864 0.523802
C -0.024484 -1.959360 -0.056555
C 1.019928 -0.916282 0.372100
C 3.400841 -0.284412 0.133427
C 4.769517 -0.828844 -0.321429
C 5.869657 0.164969 0.013884
H -6.307803 -1.690232 0.130342
H -7.109358 0.201558 -1.304396
H -6.011049 -0.904840 -2.158853
H -4.847753 0.829937 1.130875
H -5.495785 -0.489256 2.104073
H -4.110947 0.691638 -1.822773
H -5.427368 1.316992 -2.836178
H -7.815489 0.406905 0.754271
H -7.365834 0.773235 2.416970
H -4.595490 2.136068 -0.016146
H -4.789328 3.143405 -1.453620
H -7.873915 2.861074 1.328827
H -6.140032 2.841040 1.653032
H -6.818321 3.757156 -0.624296
H -7.413412 2.162714 -1.080010
H -4.545294 -3.148861 0.541440
H -3.830806 -1.922049 1.653536
H -2.499254 -2.699264 -1.017938
H -2.176264 -3.664959 0.436412
H -1.728931 -0.617335 0.190868
H -1.349735 -1.578633 1.628206
H -0.082245 -2.014759 -1.160588
H 0.299588 -2.965909 0.278348
H 0.713207 0.095343 0.028573
H 1.078212 -0.874075 1.482982
H 2.313999 -1.509516 -1.145793
H 3.418842 -0.089116 1.229533
H 3.187335 0.687250 -0.361948
H 4.745890 -1.047857 -1.408742
H 4.947697 -1.809069 0.176086
H 5.714284 1.140995 -0.486502
H 5.933346 0.358019 1.106069
H 9.711965 2.159770 -1.056757


%chk=000217429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217429

0 1
S 6.294407 0.168529 1.638402
S 7.770790 2.103687 1.100724
O -4.201038 -1.166238 -0.422660
O 9.346934 1.131344 0.821658
O 7.284788 2.700642 -0.327880
O 8.058850 3.141005 2.310855
N 2.402990 -1.897877 -1.288796
C -5.528379 -0.659219 -0.000498
C -6.017059 0.254711 -1.138864
C -5.455999 -0.029387 1.415627
C -5.162654 1.498607 -1.478431
C -6.712377 0.789908 1.835448
C -5.067086 2.619073 -0.403783
C -6.568984 2.332273 1.737212
C -6.394123 2.969478 0.332305
C -3.781252 -2.399885 0.253481
C -2.480424 -2.871340 -0.407870
C -1.304613 -1.893561 -0.190866
C -0.013448 -2.351788 -0.903105
C 1.186950 -1.432162 -0.601301
C 3.586589 -1.051330 -1.317787
C 4.307833 -0.894336 0.074274
C 5.541662 0.028205 -0.072237
H -6.230952 -1.526747 0.047862
H -7.055605 0.564471 -0.912650
H -6.075727 -0.376386 -2.047500
H -4.552449 0.604849 1.471582
H -5.301768 -0.849907 2.143297
H -4.141495 1.165590 -1.745650
H -5.598497 1.942138 -2.397327
H -7.595135 0.458020 1.250886
H -6.952190 0.555642 2.891656
H -4.296469 2.361233 0.347634
H -4.687499 3.526526 -0.914541
H -7.467317 2.784471 2.206742
H -5.706233 2.639467 2.365166
H -6.443192 4.068044 0.471808
H -7.262189 2.710902 -0.308226
H -4.577611 -3.171318 0.147760
H -3.616310 -2.220452 1.339247
H -2.665570 -3.000313 -1.492155
H -2.218423 -3.869278 0.000450
H -1.605590 -0.893072 -0.555278
H -1.112879 -1.791531 0.898378
H -0.173615 -2.384910 -1.997961
H 0.232855 -3.388185 -0.584587
H 0.970836 -0.403712 -0.952541
H 1.320372 -1.369065 0.505886
H 2.581869 -2.904050 -1.201124
H 3.296034 -0.044174 -1.674416
H 4.310795 -1.465907 -2.044240
H 4.613504 -1.895255 0.434879
H 3.597649 -0.469829 0.808522
H 6.285988 -0.400918 -0.761434
H 5.253610 1.035588 -0.417415
H 10.106645 1.784628 0.879287


