%chk=000271038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271038

0 1
S 6.240973 -0.370501 1.312271
S 6.389006 3.856796 -0.065519
O 7.204500 -0.933623 0.410082
O 6.416195 -0.513656 2.743623
N 6.334229 1.388892 1.189690
N 0.747135 -1.980257 -0.234946
N -0.265360 -1.264114 -0.025750
N -3.230384 -3.348001 -1.199435
N 5.640538 1.580198 -1.112375
N -5.031734 -0.273905 -0.153896
N -1.017703 -4.015971 -1.216995
N -5.491454 -2.818719 -1.239761
N -4.817830 0.891373 0.265142
C 4.644048 -0.773158 0.864924
C 3.650764 -0.869036 1.851959
C 4.325356 -1.020515 -0.478038
C 2.036949 -1.465358 0.156790
C 2.346884 -1.211709 1.508021
C 3.023752 -1.368414 -0.839706
C 6.103426 2.087549 0.030623
C -1.542917 -1.742033 -0.366897
C -2.577503 -0.814427 -0.114494
C -3.910892 -1.119310 -0.381294
C -1.915813 -3.028097 -0.923838
C -4.213482 -2.427386 -0.939753
C 5.849135 3.848078 -1.723126
C 5.505737 2.583562 -2.095297
C -5.970293 1.727798 0.512145
C -7.183338 1.254872 1.042167
C -5.781215 3.102129 0.271133
C -8.205404 2.162636 1.329407
C -6.815926 3.993501 0.556936
C -8.025675 3.527859 1.085756
H 3.902578 -0.678265 2.902838
H 5.100718 -0.937273 -1.253477
H 1.570346 -1.279562 2.269118
H 2.772683 -1.556706 -1.883029
H 6.674748 1.922338 2.003638
H -2.319435 0.170498 0.305285
H 5.820514 4.750583 -2.305409
H 5.138300 2.267548 -3.068814
H -0.022327 -3.896877 -1.065558
H -1.335331 -4.893993 -1.603691
H -5.671624 -3.729250 -1.635082
H -6.272203 -2.196067 -1.090713
H -7.319763 0.191396 1.232064
H -4.833635 3.458867 -0.133347
H -9.146183 1.803402 1.744675
H -6.678983 5.058117 0.369855
H -8.826407 4.230695 1.309597


%chk=000271038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271038

0 1
S 5.732564 1.118752 1.517441
S 9.248576 2.044637 -0.891404
O 6.717081 -0.128667 1.858736
O 5.426024 2.299661 2.599577
N 6.478530 2.102235 -0.124889
N 0.473896 -1.023702 -0.637797
N -0.645456 -0.500953 -0.145828
N -3.248124 -2.454168 -2.097207
N 7.296665 0.261467 -1.427578
N -5.552331 -0.379191 -0.072590
N -0.916478 -2.606833 -2.215264
N -5.578078 -2.311560 -1.985608
N -5.501472 0.550783 0.854961
C 4.101766 0.482803 0.849955
C 2.923279 1.071273 1.346380
C 4.127426 -0.547700 -0.106161
C 1.668713 -0.467402 -0.091938
C 1.693516 0.582173 0.872743
C 2.887243 -1.021005 -0.575608
C 7.465830 1.427665 -0.797994
C -1.851275 -0.993566 -0.641262
C -3.031646 -0.427898 -0.096369
C -4.301063 -0.849894 -0.525629
C -2.021206 -2.034805 -1.667559
C -4.356552 -1.886619 -1.550656
C 9.593448 0.604129 -1.886949
C 8.465152 -0.199408 -2.016099
C -6.770208 1.024726 1.311171
C -8.040143 0.581040 0.839782
C -6.704412 2.023138 2.321201
C -9.216132 1.134160 1.378665
C -7.887729 2.572240 2.856307
C -9.147271 2.129960 2.387384
H 2.979783 1.876820 2.085516
H 5.075191 -0.943371 -0.483809
H 0.744969 0.992802 1.228173
H 2.845357 -1.819019 -1.323471
H 6.739583 3.024584 0.265439
H -2.948176 0.348258 0.669796
H 10.576340 0.459929 -2.330492
H 8.441356 -1.139903 -2.567792
H -0.003107 -2.250928 -1.849668
H -1.037720 -3.327669 -2.927254
H -5.635399 -3.034429 -2.699625
H -6.404638 -1.880582 -1.568581
H -8.080006 -0.186936 0.061572
H -5.715792 2.345375 2.664323
H -10.193555 0.794548 1.017510
H -7.830229 3.340674 3.634619
H -10.068392 2.554877 2.801327


