%chk=000269362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269362

0 1
S 5.983844 -1.184173 -3.306338
S -5.981904 1.182226 -3.308033
O 3.286351 1.442273 2.252097
O -3.285141 -1.439193 2.253160
N 3.523214 0.293350 0.264290
N -3.521694 -0.292551 0.263987
N 4.849000 -0.770892 -2.110849
N -4.847204 0.769854 -2.112096
N 7.322110 -0.412825 -2.596529
N -7.320295 0.411573 -2.597704
C 1.345945 0.354849 1.345194
C -1.344604 -0.352785 1.345344
C 4.909758 0.523273 0.040004
C -4.908241 -0.522582 0.039788
C 5.471089 -0.055932 -1.181973
C -5.469421 0.055677 -1.182705
C 2.790993 0.764989 1.376035
C -2.789645 -0.762912 1.376392
C 0.366197 1.356035 1.355940
C -0.985276 1.000644 1.351771
C 0.986632 -0.998566 1.353489
C -0.364851 -1.353947 1.357810
C 6.927512 0.156463 -1.464467
C -6.925836 -0.156843 -1.465156
C 5.728073 1.231103 0.874937
C -5.726682 -1.229703 0.875210
C 7.721155 0.917451 -0.529925
C -7.719620 -0.917025 -0.530078
C 7.128732 1.422089 0.582536
C -7.127330 -1.420823 0.582835
H 3.035309 -0.248464 -0.461651
H -3.033662 0.248427 -0.462490
H 0.658577 2.408519 1.378705
H -1.752062 1.777252 1.369116
H 1.753394 -1.775155 1.372168
H -0.657221 -2.406408 1.382026
H 5.338431 1.678037 1.799514
H -5.337168 -1.675916 1.800189
H 8.777536 1.057436 -0.758348
H -8.775992 -1.057109 -0.758478
H 7.705555 2.001925 1.308086
H -7.704259 -2.000039 1.308798


%chk=000269362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269362

0 1
S 6.954128 -2.747037 -0.987991
S -6.952364 2.746979 -0.991560
O 2.888924 2.343264 0.756898
O -2.887587 -2.341800 0.758761
N 3.761706 0.261944 0.145527
N -3.760197 -0.261081 0.145102
N 5.526469 -1.763977 -0.585200
N -5.524792 1.764233 -0.587690
N 8.158466 -1.461879 -0.717932
N -8.156794 1.462147 -0.720363
C 1.335895 0.498459 0.468700
C -1.334446 -0.497346 0.468880
C 5.135771 0.567514 0.116317
C -5.134276 -0.566604 0.116092
C 5.999777 -0.528777 -0.269921
C -5.998194 0.529363 -0.271263
C 2.709686 1.117157 0.477054
C -2.708241 -1.116033 0.477499
C 0.232792 1.389732 0.483053
C -1.086366 0.902137 0.479811
C 1.087812 -0.901012 0.481049
C -0.231347 -1.388603 0.484468
C 7.457999 -0.350462 -0.339939
C -7.456420 0.351059 -0.341235
C 5.734412 1.795236 0.417364
C -5.733006 -1.794007 0.418264
C 8.034746 0.925189 -0.020015
C -8.033259 -0.924256 -0.020138
C 7.166848 1.951184 0.346072
C -7.165444 -1.949945 0.347004
H 3.550664 -0.701819 -0.136311
H -3.549089 0.702410 -0.137619
H 0.440872 2.463864 0.508724
H -1.906266 1.629073 0.518379
H 1.907703 -1.627903 0.520610
H -0.439436 -2.462708 0.511216
H 5.101861 2.636295 0.705549
H -5.100524 -2.634826 0.707299
H 9.117039 1.062217 -0.069959
H -9.115555 -1.061277 -0.070042
H 7.580943 2.934474 0.594126
H -7.579613 -2.932975 0.595965


