%chk=000205464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205464

0 1
S -3.111857 -3.011580 0.294740
O 4.222101 -1.852778 0.066388
O 4.983384 0.887376 -0.672467
N -1.300712 0.785002 1.080927
C -0.341105 -0.364035 1.002770
C -3.144741 -0.308534 -0.106956
C -2.175460 0.897252 -0.125852
C -0.890456 -1.495964 0.093762
C -0.619931 2.065463 1.411709
C 1.078335 -0.019111 0.568057
C -2.378436 -1.587391 0.091678
C -4.015138 -0.352704 -1.377807
C 0.501622 2.436328 0.427856
C 1.475580 1.302362 0.291513
C -5.252259 0.574383 -1.361789
C 2.017303 -1.056609 0.468329
C 2.795175 1.580013 -0.095012
C -6.137088 0.316911 -0.137466
C -4.875205 2.056701 -1.463911
C 3.329806 -0.785014 0.076081
C 3.725092 0.542792 -0.201842
C 4.706512 -2.190580 -1.263342
C 6.078596 0.528171 0.215421
H -0.288553 -0.751274 2.061593
H -3.823147 -0.183978 0.788020
H -1.611426 0.940344 -1.079775
H -2.770374 1.839523 -0.060052
H -0.422193 -2.458308 0.399407
H -0.548833 -1.335530 -0.956585
H -0.203261 1.959885 2.440225
H -1.378823 2.874105 1.464608
H -3.395957 -0.121782 -2.264828
H -4.382267 -1.390703 -1.533905
H 1.012295 3.358396 0.770794
H 0.081283 2.684323 -0.568916
H -5.851540 0.316319 -2.275384
H 1.746975 -2.088725 0.696022
H 3.115681 2.597986 -0.313035
H -6.431472 -0.737599 -0.073629
H -7.052910 0.915272 -0.171647
H -5.618089 0.562861 0.797600
H -4.252520 2.374471 -0.614761
H -5.767260 2.692430 -1.468485
H -4.316990 2.266245 -2.381702
H 5.447559 -2.967939 -1.049199
H 5.162634 -1.316066 -1.740370
H 3.879923 -2.583932 -1.860794
H 6.956602 0.739630 -0.403726
H 6.025905 -0.530019 0.497497
H 6.046243 1.174614 1.096642


%chk=000205464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205464

0 1
S -3.374740 -2.719095 1.006189
O 4.206904 -1.964970 -0.126829
O 5.123615 0.765395 -0.703061
N -1.204118 0.937514 1.085199
C -0.302802 -0.245732 1.108344
C -3.147681 -0.099773 -0.026012
C -2.073217 1.017035 -0.109345
C -0.980650 -1.423327 0.328565
C -0.509233 2.186605 1.459484
C 1.124996 0.031860 0.588150
C -2.486701 -1.394039 0.446844
C -3.941271 -0.303382 -1.364473
C 0.628245 2.541966 0.469245
C 1.567873 1.354421 0.297839
C -5.279657 0.486265 -1.480674
C 2.033415 -1.044874 0.433464
C 2.905679 1.558224 -0.119998
C -6.349314 -0.051441 -0.499882
C -5.107897 2.016298 -1.326626
C 3.354672 -0.840352 -0.006858
C 3.806362 0.486518 -0.264805
C 4.689343 -2.225584 -1.503561
C 6.183497 0.414409 0.271599
H -0.216408 -0.572252 2.166551
H -3.869524 0.180803 0.764762
H -1.510538 0.932320 -1.072860
H -2.561221 2.006610 -0.115414
H -0.588968 -2.392208 0.673540
H -0.723387 -1.318790 -0.747940
H -0.085779 2.052322 2.474077
H -1.252261 3.003052 1.515479
H -3.279034 -0.030330 -2.212299
H -4.179317 -1.378518 -1.469559
H 1.191742 3.426090 0.824525
H 0.184685 2.823752 -0.507862
H -5.648478 0.295742 -2.511700
H 1.730915 -2.076397 0.645629
H 3.275807 2.569266 -0.325166
H -6.518041 -1.133714 -0.645271
H -7.311951 0.473756 -0.643833
H -6.043430 0.094442 0.553289
H -4.821239 2.282911 -0.291713
H -6.057198 2.538570 -1.548044
H -4.334024 2.410754 -2.012167
H 5.372068 -3.084633 -1.417363
H 5.220508 -1.345978 -1.909902
H 3.838065 -2.486189 -2.160995
H 7.133750 0.647165 -0.232751
H 6.137136 -0.656565 0.539340
H 6.079403 1.033082 1.183251


