%chk=000193722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193722

0 1
S -0.000242 -1.720641 0.513694
O -2.377325 2.381081 -0.902822
O 2.377378 2.380729 -0.902941
N -1.204612 0.515577 -0.258569
N 1.204421 0.515393 -0.258649
C 0.000040 2.582479 -0.971428
C -0.000140 -0.169923 -0.021795
C -1.300259 1.868082 -0.725395
C 1.300245 1.867882 -0.725485
C -2.452666 -0.220710 -0.004581
C 2.452379 -0.221082 -0.004737
C -3.036422 -0.149410 1.267263
C 3.036254 -0.149823 1.267055
C -3.035868 -0.949486 -1.049846
C 3.035376 -0.949994 -1.050021
C -4.235546 -0.832369 1.489599
C 4.235289 -0.832962 1.489316
C -4.234858 -1.624305 -0.804000
C 4.234280 -1.624993 -0.804249
C -4.833239 -1.566345 0.459409
C 4.832777 -1.567074 0.459106
H 0.000034 2.965288 -2.027247
H 0.000131 3.534087 -0.374964
H -2.565576 0.418152 2.067589
H 2.565567 0.417847 2.067396
H -2.564415 -0.996420 -2.029579
H 2.563832 -0.996895 -2.029712
H -4.704076 -0.791791 2.472584
H 4.703910 -0.792417 2.472259
H -4.703036 -2.199082 -1.602671
H 4.702297 -2.199878 -1.602936
H -5.767270 -2.095962 0.641909
H 5.766740 -2.096832 0.641548


%chk=000193722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193722

0 1
S -0.000250 -1.862239 0.556688
O -2.415572 2.341572 -0.894638
O 2.415617 2.341210 -0.894778
N -1.205237 0.450075 -0.240283
N 1.205037 0.449890 -0.240365
C 0.000034 2.524562 -0.958480
C -0.000146 -0.255044 0.003416
C -1.302523 1.792475 -0.705287
C 1.302497 1.792279 -0.705364
C -2.477602 -0.239948 0.000659
C 2.477313 -0.240328 0.000490
C -3.082599 -0.147250 1.269957
C 3.082391 -0.147753 1.269758
C -3.094384 -0.939516 -1.055668
C 3.093936 -0.939959 -1.055888
C -4.323537 -0.783157 1.489205
C 4.323246 -0.783848 1.488925
C -4.335485 -1.573052 -0.829913
C 4.334955 -1.573685 -0.830214
C -4.949925 -1.497692 0.441668
C 4.949474 -1.498449 0.441337
H 0.000030 2.876126 -2.007303
H 0.000121 3.448459 -0.350106
H -2.586456 0.407360 2.073020
H 2.586372 0.406910 2.072862
H -2.607254 -0.991445 -2.034767
H 2.606748 -0.991790 -2.034963
H -4.799845 -0.720066 2.473321
H 4.799615 -0.720852 2.473017
H -4.820973 -2.122070 -1.643680
H 4.820319 -2.122753 -1.644020
H -5.912913 -1.990456 0.614446
H 5.912397 -1.991361 0.614050


