%chk=000256955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256955

0 1
S 0.855902 -0.946635 0.793448
O -1.485439 -1.483571 -1.858032
O 0.221293 -0.105454 -2.229901
O 2.593830 1.905422 1.244928
N 1.528100 2.111244 -0.743348
C -1.843182 -0.720794 0.852708
C -0.633509 -0.226064 0.033668
C -3.139875 -0.077120 0.315317
C -1.975345 -2.244137 0.869060
C -3.204550 1.433574 0.572111
C 2.254164 -0.131913 -0.042736
C -0.565380 -0.570929 -1.423534
C 3.514487 -0.751651 0.565209
C -4.486541 2.044028 0.011398
C 2.174068 1.359054 0.241770
C 4.758468 -0.360316 -0.229432
H -1.689310 -0.371158 1.909613
H -0.599173 0.899090 0.115315
H -4.012025 -0.567512 0.791863
H -3.246817 -0.292273 -0.766658
H -2.095936 -2.654114 -0.144358
H -2.848462 -2.558936 1.452289
H -1.103294 -2.736923 1.315161
H -3.141510 1.633916 1.660630
H -2.325696 1.937918 0.122753
H 2.211533 -0.345227 -1.142948
H 3.427628 -1.857745 0.596256
H 3.629332 -0.414561 1.621279
H -4.564993 1.899344 -1.072148
H -4.527429 3.122780 0.201880
H -5.379283 1.598762 0.465854
H 4.700314 -0.683014 -1.274694
H 4.914732 0.726558 -0.221348
H 5.657311 -0.815160 0.204905
H -1.377326 -1.689575 -2.831123
H 1.508499 3.116580 -0.667855
H 1.245912 1.716815 -1.634199


%chk=000256955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256955

0 1
S 0.902272 -1.206037 0.727097
O -1.363478 -1.621555 -1.922594
O -0.025026 0.223793 -2.261241
O 2.738526 1.798235 1.401867
N 1.508926 2.088248 -0.555070
C -1.910225 -0.766402 0.857848
C -0.664987 -0.321845 0.045398
C -3.200060 -0.072017 0.329591
C -2.112396 -2.296487 0.965070
C -3.156340 1.474521 0.302622
C 2.334579 -0.168333 -0.039147
C -0.653659 -0.522283 -1.455916
C 3.641590 -0.797485 0.483102
C -4.529482 2.093528 -0.037067
C 2.218362 1.318932 0.350814
C 4.882133 -0.233357 -0.246217
H -1.719333 -0.379330 1.881475
H -0.482224 0.751108 0.217145
H -4.035060 -0.390014 0.986604
H -3.438548 -0.459569 -0.681384
H -2.329848 -2.741479 -0.019367
H -2.960090 -2.508605 1.642365
H -1.219107 -2.798214 1.378584
H -2.815686 1.848931 1.289836
H -2.410897 1.825038 -0.439523
H 2.246932 -0.289900 -1.133359
H 3.594775 -1.895578 0.350532
H 3.720878 -0.584762 1.564309
H -4.887623 1.748081 -1.025370
H -4.480314 3.197417 -0.062598
H -5.289660 1.805772 0.713339
H 4.829865 -0.414282 -1.336464
H 4.978025 0.852992 -0.074575
H 5.800461 -0.716286 0.133318
H -1.236163 -1.692548 -2.908830
H 1.414190 3.087152 -0.369879
H 1.059192 1.662924 -1.377212


