%chk=000295563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295563

0 1
S -0.627357 1.817895 0.279864
O -0.299767 3.144266 -0.201802
O 0.023131 1.300324 1.462827
O -1.403489 -5.385057 -2.180448
O -1.574888 -5.513704 0.041658
N -0.247928 0.767001 -1.061123
C 2.800127 1.543238 -0.961671
C 2.034583 0.914795 -2.132200
C 4.301856 1.239759 -1.048354
C 0.560044 1.343547 -2.177496
C 5.061019 1.849885 0.137847
C 6.563660 1.550778 0.056523
C -0.444307 -0.632055 -1.028535
C 7.322204 2.160343 1.244014
C -2.328274 1.646538 0.429437
C -0.594805 -1.310754 0.204948
C -0.544500 -1.365246 -2.238549
C 8.819049 1.866547 1.170082
C -2.873847 0.860078 1.453200
C -3.180056 2.312506 -0.460827
C -0.888236 -2.667461 0.219859
C -0.836143 -2.721453 -2.210678
C -1.025451 -3.384277 -0.984153
C -4.254776 0.726725 1.577516
C -4.563236 2.183579 -0.342635
C -5.112099 1.385707 0.676697
C -6.588530 1.232771 0.812523
C -1.351881 -4.810779 -0.920672
H 2.635919 2.639331 -0.942084
H 2.397939 1.165003 0.000930
H 2.110518 -0.189964 -2.078009
H 2.513336 1.200910 -3.090315
H 4.464264 0.144811 -1.073822
H 4.713532 1.630235 -1.998566
H 0.482996 2.459269 -2.136199
H 0.106716 1.034836 -3.147734
H 4.648883 1.458244 1.088667
H 4.894556 2.944091 0.168978
H 6.976629 1.942386 -0.892636
H 6.729931 0.456785 0.028147
H 7.156909 3.255124 1.273987
H 6.910540 1.767294 2.194388
H -0.419592 -0.797877 1.156464
H -0.406258 -0.861911 -3.193740
H 9.019196 0.789116 1.177871
H 9.266048 2.276216 0.257357
H 9.350756 2.305140 2.021750
H -2.212950 0.351037 2.165487
H -2.762401 2.945882 -1.250907
H -1.005737 -3.195526 1.172194
H -0.925907 -3.287854 -3.143274
H -4.671823 0.110896 2.373165
H -5.217483 2.703950 -1.040072
H -6.937003 1.553464 1.806574
H -7.153997 1.815650 0.072735
H -6.893888 0.181243 0.692473
H -1.622233 -6.353076 -2.136860


%chk=000295563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295563

0 1
S -0.708537 2.119511 0.098922
O -0.570308 3.599952 -0.559259
O 0.095600 1.778282 1.475710
O -0.908128 -5.392804 -2.070113
O -1.161176 -5.324311 0.238368
N -0.269716 0.971981 -1.334808
C 2.765369 1.679664 -1.140040
C 2.015498 1.230839 -2.413070
C 4.260472 1.290408 -1.158295
C 0.517609 1.613538 -2.412112
C 5.014544 1.727131 0.117734
C 6.505929 1.322551 0.116278
C -0.390530 -0.424776 -1.180342
C 7.257769 1.756278 1.395315
C -2.527896 1.720090 0.382186
C -0.571680 -1.051160 0.090791
C -0.364231 -1.249916 -2.350545
C 8.746252 1.345321 1.389893
C -2.903813 1.232119 1.643222
C -3.438823 1.997924 -0.647465
C -0.759829 -2.438807 0.175353
C -0.546732 -2.636635 -2.250225
C -0.757431 -3.251450 -0.987905
C -4.275243 0.988938 1.867013
C -4.805479 1.741414 -0.397493
C -5.242041 1.233238 0.854608
C -6.710428 0.953731 1.114138
C -0.959446 -4.706847 -0.838704
H 2.670049 2.778899 -1.023430
H 2.285645 1.232553 -0.245640
H 2.125808 0.136334 -2.545789
H 2.476478 1.705461 -3.303851
H 4.350245 0.190138 -1.278165
H 4.750851 1.741753 -2.046718
H 0.403519 2.706396 -2.278428
H 0.040633 1.363373 -3.380650
H 4.514850 1.285971 1.004921
H 4.932884 2.828092 0.233411
H 7.008008 1.765307 -0.769814
H 6.587459 0.221135 0.000879
H 7.177021 2.856645 1.509532
H 6.753971 1.315333 2.279540
H -0.504235 -0.461567 1.008770
H -0.218173 -0.797226 -3.335026
H 8.853447 0.247104 1.306445
H 9.279642 1.799174 0.533052
H 9.259496 1.665655 2.315362
H -2.151159 1.060231 2.419284
H -3.102500 2.399180 -1.608448
H -0.891751 -2.921049 1.149666
H -0.534431 -3.258261 -3.150148
H -4.597718 0.604801 2.841544
H -5.539866 1.942192 -1.185268
H -7.068625 1.496638 2.008077
H -7.340336 1.253538 0.260176
H -6.881917 -0.123253 1.298571
H -1.051371 -6.360551 -1.892208


