%chk=000251428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251428

0 1
S 1.995162 -1.518908 -0.717612
S 2.594156 1.314440 -0.813088
O 1.186204 -2.262786 0.214450
O 2.259924 -2.105154 -2.006046
O 2.099429 2.581411 -0.355252
O 3.348023 1.277768 -2.042606
O 0.618398 0.631678 1.228405
N -1.072342 0.309051 -0.287781
C 1.280689 0.099268 -0.977244
C -2.166750 0.464041 0.720774
C 3.525081 -1.029050 0.040717
C 3.477693 0.432489 0.439807
C -3.208488 1.469129 0.192892
C -2.791660 -0.909109 1.036441
C 0.251632 0.364571 0.091287
C -4.071051 0.904051 -0.941745
C -3.655653 -1.452318 -0.106842
C -4.713194 -0.432361 -0.547678
H 0.861443 0.156203 -2.010167
H -1.701903 0.876884 1.661457
H 4.386455 -1.222413 -0.641050
H 3.751193 -1.660559 0.928794
H 2.977170 0.558488 1.435539
H 4.497637 0.832746 0.609214
H -2.703714 2.397563 -0.139669
H -3.859253 1.768611 1.039094
H -3.403965 -0.813176 1.954658
H -1.991604 -1.637403 1.284225
H -3.463106 0.776103 -1.856857
H -4.858813 1.635656 -1.207110
H -4.148315 -2.390305 0.215423
H -3.016935 -1.733389 -0.965437
H -5.440328 -0.270435 0.271676
H -5.296625 -0.835921 -1.396355
H -1.355686 0.025436 -1.220114


%chk=000251428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251428

0 1
S 1.826969 -1.603059 -0.829353
S 2.803496 1.350411 -0.650155
O 0.842131 -2.423325 0.175228
O 2.113569 -2.149604 -2.333321
O 2.469483 2.821396 -0.051502
O 3.718223 1.161054 -1.989569
O 0.512872 0.573287 1.325471
N -1.147101 0.676800 -0.319205
C 1.169713 0.300333 -0.977319
C -2.274295 0.797811 0.643178
C 3.562145 -1.242321 0.096511
C 3.531169 0.133859 0.715205
C -3.459204 1.530192 -0.029246
C -2.698088 -0.604471 1.165824
C 0.148009 0.539430 0.104513
C -4.147509 0.673130 -1.122735
C -3.377341 -1.455544 0.067536
C -4.573751 -0.708926 -0.570335
H 0.929751 0.415346 -2.046934
H -1.886423 1.392849 1.489836
H 4.297133 -1.364255 -0.712376
H 3.584943 -2.056392 0.837022
H 2.833826 0.259372 1.556730
H 4.535756 0.544164 0.906083
H -3.121876 2.501187 -0.440036
H -4.199954 1.755452 0.762369
H -3.404338 -0.448115 2.006199
H -1.812544 -1.123377 1.574492
H -3.467949 0.526486 -1.990876
H -5.024773 1.218608 -1.518735
H -3.712335 -2.416820 0.499927
H -2.633708 -1.711076 -0.714499
H -5.362448 -0.562622 0.196446
H -5.021435 -1.319948 -1.377125
H -1.363215 0.620988 -1.317048


