%chk=000286143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286143

0 1
S -2.321744 -0.679172 -0.178810
S 2.321746 -0.680862 -0.180636
O -1.953864 -1.494764 0.959627
O -1.952862 -1.016404 -1.537814
O 1.954030 -1.017546 -1.540088
O 1.953665 -1.497343 0.957084
N 0.000177 2.518567 -0.812716
N 0.000848 2.056969 1.592464
N -1.697144 0.891944 0.122497
N 1.695967 0.889644 0.121043
C 0.001319 3.135918 0.552647
C -1.261405 1.749098 -1.018462
C -1.260768 1.265969 1.499455
C 1.260373 1.747178 -1.019674
C 1.261015 1.263794 1.498413
C -4.033669 -0.426126 -0.131168
C 4.033502 -0.426798 -0.131661
C -4.727751 -0.107753 -1.302768
C 4.727365 -0.559212 1.075298
C -4.728211 -0.557790 1.075505
C 4.728125 -0.106851 -1.302528
C -6.107490 0.095968 -1.269118
C 6.106952 -0.356343 1.118968
C -6.107931 -0.355747 1.118098
C 6.107695 0.097698 -1.267806
C -6.807625 -0.026412 -0.056076
C 6.807161 -0.025431 -0.054423
C -8.281323 0.203571 -0.012675
C 8.280687 0.205496 -0.010210
H 0.900968 3.779658 0.675940
H -0.897115 3.781201 0.676737
H -2.063861 2.512009 -1.193641
H -1.159995 1.120382 -1.942378
H -1.159047 0.339970 2.125040
H -2.063012 1.909874 1.944927
H 1.157057 1.118308 -1.943287
H 2.063747 2.508869 -1.195950
H 2.064584 1.906103 1.943810
H 1.158010 0.337621 2.123532
H -4.190151 -0.029884 -2.254603
H 4.189795 -0.835836 1.989354
H -4.191033 -0.833173 1.990161
H 4.191065 -0.028397 -2.254617
H -6.641281 0.343441 -2.184376
H 6.640576 -0.460923 2.061399
H -6.642121 -0.459719 2.060278
H 6.641944 0.346402 -2.182463
H -8.503788 1.262428 0.192402
H -8.775043 -0.050430 -0.961170
H -8.776120 -0.386274 0.771691
H 8.502366 1.266176 0.186113
H 8.774548 -0.377369 0.779906
H 8.775970 -0.056395 -0.955770


%chk=000286143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286143

0 1
S -2.107969 -0.161483 -0.088978
S 2.014747 -1.171893 -0.341347
O -1.644055 -1.050014 1.200398
O -1.646446 -0.432188 -1.632461
O 1.754351 -1.546899 -1.900887
O 1.745681 -2.184482 0.900861
N 0.350296 2.611460 -0.744241
N 0.369512 2.086986 1.636753
N -1.773769 1.698186 0.320265
N 0.986055 0.383497 0.009877
C 0.698447 3.119989 0.613465
C -1.117390 2.410314 -0.828625
C -1.096819 1.862198 1.651401
C 1.187635 1.435987 -1.055637
C 1.208962 0.892873 1.414332
C -3.995099 -0.205182 -0.098503
C 3.838058 -0.638344 -0.212867
C -4.659705 0.012455 -1.315363
C 4.480019 -0.749647 1.031090
C -4.661398 -0.490901 1.102526
C 4.489319 -0.194768 -1.376417
C -6.070408 -0.043469 -1.314629
C 5.839410 -0.370811 1.109818
C -6.073147 -0.540608 1.077264
C 5.847609 0.177274 -1.272330
C -6.796248 -0.309394 -0.122530
C 6.537572 0.104385 -0.031903
C -8.313892 -0.338661 -0.133344
C 7.991938 0.527658 0.066746
H 1.776032 3.352119 0.656097
H 0.119230 4.035679 0.820172
H -1.583665 3.413033 -0.869826
H -1.354722 1.858268 -1.754380
H -1.320682 0.969837 2.261130
H -1.560069 2.751885 2.118807
H 0.888330 0.988612 -2.015669
H 2.243217 1.786469 -1.106291
H 2.266224 1.194837 1.589644
H 0.924834 0.083436 2.104031
H -4.089451 0.184776 -2.233631
H 3.944325 -1.158888 1.894339
H -4.094053 -0.699461 2.015065
H 3.960295 -0.184078 -2.335418
H -6.613464 0.113695 -2.253864
H 6.365944 -0.457218 2.067244
H -6.617741 -0.769304 2.000514
H 6.381371 0.516448 -2.167858
H -8.728021 0.686025 -0.066289
H -8.703685 -0.787831 -1.063762
H -8.715622 -0.913227 0.718741
H 8.078685 1.629063 0.139458
H 8.480706 0.098345 0.957839
H 8.565620 0.214259 -0.823328


