%chk=000253873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253873

0 1
S 1.590736 2.111199 1.609020
O -4.082633 2.166342 0.356483
O -3.807854 -2.195953 -1.147115
N 4.549876 -0.259031 0.139699
N -1.852946 -1.260242 -0.375720
N -1.054650 1.966378 0.965332
N -3.950828 -0.009486 -0.395153
N 0.104815 0.032024 0.524105
C 3.417659 0.724231 0.097018
C 5.628380 0.084212 -0.844681
C 4.049629 -1.661666 -0.057869
C 2.880544 0.839228 1.524148
C -1.973251 1.044802 0.426629
C -1.231129 -0.140732 0.165817
C 0.168027 1.317870 1.003326
C -3.384684 1.192404 0.163530
C -3.254451 -1.222022 -0.673993
C 6.407974 1.309831 -0.366334
C 5.060818 -2.657243 0.511786
C -1.077830 -2.496229 -0.639688
C -5.404198 -0.018139 -0.721923
H 2.605621 0.424616 -0.603570
H 3.786533 1.713317 -0.255491
H 5.237110 0.253544 -1.870975
H 6.322381 -0.785065 -0.908581
H 3.837867 -1.895833 -1.123395
H 3.082811 -1.771445 0.484879
H 3.680670 1.149985 2.230255
H 2.501087 -0.137103 1.892595
H -1.291367 2.902316 1.252112
H 7.292801 1.479367 -0.988370
H 6.745508 1.177476 0.670725
H 5.800427 2.221354 -0.391340
H 4.648280 -3.670971 0.528005
H 5.338189 -2.388212 1.540269
H 5.988748 -2.680123 -0.070706
H -1.742811 -3.281558 -1.049437
H -0.620474 -2.867429 0.294677
H -0.273072 -2.294209 -1.368223
H -5.852110 0.962737 -0.472729
H -5.923152 -0.804430 -0.146834
H -5.555548 -0.217614 -1.796885


%chk=000253873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253873

0 1
S 1.571428 2.422415 1.709545
O -4.112815 2.067854 0.231613
O -3.472277 -2.446264 -1.010413
N 4.355585 -0.165621 -0.038716
N -1.604136 -1.274470 -0.206488
N -1.085038 2.048353 0.938816
N -3.768136 -0.205186 -0.387117
N 0.200566 0.185765 0.669813
C 3.446857 0.998879 0.057807
C 5.574349 0.066291 -0.855312
C 3.642084 -1.434880 -0.351936
C 2.926419 1.093651 1.504324
C -1.930606 1.048033 0.434481
C -1.109120 -0.076244 0.281698
C 0.177372 1.489767 1.066387
C -3.328991 1.076484 0.111374
C -2.975561 -1.374733 -0.560564
C 6.600774 0.977999 -0.156377
C 4.335261 -2.675957 0.241867
C -0.725025 -2.448701 -0.358908
C -5.193242 -0.343429 -0.765672
H 2.585402 0.920378 -0.642334
H 3.993296 1.923930 -0.197875
H 5.318707 0.485642 -1.860802
H 6.044602 -0.917215 -1.037495
H 3.520848 -1.562188 -1.457089
H 2.621045 -1.355484 0.066080
H 3.719547 1.392768 2.207914
H 2.474164 0.145561 1.831832
H -1.374079 2.999901 1.165040
H 7.497112 1.109088 -0.790915
H 6.909282 0.534834 0.806444
H 6.187289 1.982900 0.047429
H 3.765721 -3.592106 -0.003831
H 4.403726 -2.585115 1.340024
H 5.359984 -2.805230 -0.151751
H -1.337409 -3.271092 -0.756207
H -0.296959 -2.731984 0.617601
H 0.099049 -2.218897 -1.055948
H -5.676312 0.626730 -0.577921
H -5.669386 -1.135688 -0.165261
H -5.277876 -0.618239 -1.829761


