%chk=000191899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191899

0 1
S -4.476366 1.212758 -0.730683
O 2.688191 1.034169 -1.331889
O 6.349172 1.080993 0.506612
O 1.921266 1.614543 0.788196
O 5.550530 -0.886138 -1.652310
O 4.581119 3.373052 0.351050
O 1.223187 -1.473258 -0.977775
O 2.625855 -1.645814 0.771690
O -4.259257 1.579931 -2.102023
O -5.789789 1.403194 -0.141138
O -0.186624 -3.895496 -0.334549
N -1.518839 1.364644 -0.475122
N -3.534708 2.254661 0.322730
N -2.196847 -4.038613 0.780052
C 5.225310 1.154084 -0.381020
C 4.707641 -0.267186 -0.685574
C 4.199685 1.993415 0.406644
C 3.246850 -0.271088 -1.189659
C 2.815454 1.980628 -0.271043
C 2.370252 -1.175386 -0.309070
C 0.572875 1.902747 0.579122
C -0.042634 2.814877 1.450682
C -0.178314 1.211845 -0.388874
C -1.419186 2.986310 1.364779
C -2.139375 2.222934 0.406566
C -3.908428 -0.364898 -0.390900
C -2.895803 -0.931761 -1.177352
C -4.406205 -1.066584 0.716436
C -2.781365 -2.816431 0.329368
C -2.323428 -2.153179 -0.820365
C -3.859405 -2.291609 1.081829
C -0.915602 -4.520882 0.411613
C -0.556219 -5.840951 1.020280
H 5.543613 1.683489 -1.308782
H 4.839379 -0.936121 0.210289
H 4.142991 1.663046 1.474095
H 3.186439 -0.643864 -2.250150
H 2.530557 2.933696 -0.770688
H 7.019302 0.449005 0.154626
H 5.540028 -0.401695 -2.507899
H 5.451459 3.488591 0.806511
H 0.638914 -2.155137 -0.495639
H 0.556205 3.357730 2.183135
H 0.300339 0.520796 -1.105071
H -1.933775 3.680755 2.022030
H -4.018732 2.955156 0.897486
H -2.537443 -0.407691 -2.075905
H -5.231755 -0.644827 1.303814
H -1.519801 -2.576059 -1.430210
H -4.248432 -2.821450 1.947123
H -2.735273 -4.564544 1.474139
H -0.447343 -5.784557 2.113643
H 0.420950 -6.181457 0.629276
H -1.281316 -6.634272 0.791174


%chk=000191899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191899

0 1
S -4.530877 1.341406 -0.401550
O 2.610464 0.862899 -1.387773
O 6.347533 1.402380 0.433265
O 2.097398 2.225426 0.583918
O 5.267785 -1.208973 0.347430
O 4.764422 3.441243 -1.262389
O 1.865723 -2.302876 -1.141575
O 1.580064 -1.107064 0.843123
O -4.415683 1.873268 -1.921835
O -5.959895 1.392568 0.381923
O -0.055487 -4.011500 -0.612502
N -1.495543 1.794428 -0.386989
N -3.481619 2.242584 0.794949
N -2.164911 -4.208219 0.373150
C 5.156228 1.151773 -0.377071
C 4.364049 -0.057581 0.154587
C 4.295754 2.422159 -0.322110
C 3.239128 -0.375427 -0.845967
C 2.823326 2.128276 -0.687359
C 2.141545 -1.283440 -0.262199
C 0.686614 2.271466 0.566892
C 0.070397 2.848298 1.705064
C -0.134607 1.761310 -0.462262
C -1.329975 2.882285 1.792094
C -2.084646 2.325090 0.717445
C -3.836602 -0.406452 -0.262088
C -2.809860 -0.809573 -1.126499
C -4.379119 -1.227160 0.738757
C -2.726014 -2.922424 0.099910
C -2.244847 -2.088110 -0.942876
C -3.812119 -2.503597 0.915139
C -0.904080 -4.684129 0.049043
C -0.582525 -6.088078 0.539587
H 5.447497 0.959773 -1.434822
H 3.958740 0.141664 1.160554
H 4.326357 2.796299 0.720017
H 3.656296 -0.877016 -1.740183
H 2.443525 2.875173 -1.407135
H 6.721647 0.515965 0.685422
H 5.483459 -1.610399 -0.535354
H 5.696968 3.673864 -1.021363
H 1.120049 -2.932822 -0.846863
H 0.696877 3.248701 2.507412
H 0.294210 1.299862 -1.355655
H -1.825492 3.304863 2.671557
H -4.041186 2.785899 1.457670
H -2.443741 -0.127944 -1.897825
H -5.209277 -0.872766 1.357655
H -1.428789 -2.423547 -1.582720
H -4.195628 -3.160702 1.704979
H -2.738313 -4.822206 0.956319
H 0.304413 -6.042196 1.194750
H -0.315797 -6.718753 -0.325716
H -1.408537 -6.569865 1.089369


