%chk=000290745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290745

0 1
S 1.198012 -0.543458 1.364110
O 0.224270 3.365205 0.414271
O 0.732832 1.552306 -0.847624
O -3.518844 1.268629 1.308932
O 3.003202 1.312256 1.864721
N -1.606618 0.395729 0.429387
C -0.743145 1.352377 1.139266
C 0.137213 0.674208 2.187819
C 0.156301 2.037062 0.096469
C -3.001864 0.447654 0.571882
C -3.746110 -0.575892 -0.225345
C 2.786853 0.324376 1.227923
C 3.642644 -0.401203 0.270646
C -3.529470 -0.719789 -1.602070
C -4.699611 -1.366907 0.430482
C -4.261945 -1.668957 -2.320335
C -5.424632 -2.317501 -0.293223
C 3.236821 -0.511337 -1.067603
C 4.855292 -0.960385 0.700814
C -5.205172 -2.469267 -1.666450
C 4.052113 -1.191255 -1.976695
C 5.658452 -1.643959 -0.214583
C 1.100176 4.201883 -0.391813
C 5.257088 -1.759328 -1.550872
H -1.395142 2.135138 1.645031
H 0.751368 1.419621 2.742451
H -0.480121 0.147082 2.944286
H -1.140273 -0.313702 -0.137962
H -2.803054 -0.089128 -2.115586
H -4.877769 -1.230657 1.498852
H -4.098980 -1.783099 -3.391224
H -6.164671 -2.936135 0.213009
H 2.294338 -0.055927 -1.397385
H 5.166576 -0.861195 1.741091
H -5.773134 -3.209831 -2.229188
H 3.745193 -1.277963 -3.018331
H 6.599109 -2.085180 0.111962
H 5.887792 -2.292662 -2.262084
H 0.992483 3.958986 -1.453882
H 0.744119 5.212288 -0.163266
H 2.129208 4.044614 -0.052381


%chk=000290745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290745

0 1
S 0.967222 -0.722591 1.101198
O 0.414007 3.472276 0.947596
O 0.126005 2.237522 -1.014315
O -3.159159 0.110570 1.994506
O 2.707606 1.393634 1.110831
N -1.776552 0.690605 0.234489
C -0.904188 1.485325 1.095880
C 0.017104 0.625489 2.013301
C -0.079673 2.418652 0.210188
C -2.891541 0.054484 0.747840
C -3.760895 -0.699964 -0.223469
C 2.554062 0.199794 0.747625
C 3.601374 -0.587374 0.033097
C -3.674748 -0.552538 -1.633245
C -4.726316 -1.583818 0.322966
C -4.532770 -1.288968 -2.478845
C -5.580746 -2.320940 -0.522167
C 3.386275 -1.907061 -0.445699
C 4.864718 0.033821 -0.170634
C -5.484416 -2.177858 -1.926754
C 4.420341 -2.593770 -1.114538
C 5.895472 -0.656256 -0.838249
C 1.413898 4.337258 0.269913
C 5.676146 -1.971911 -1.312041
H -1.526221 2.088007 1.784823
H 0.755591 1.267099 2.521796
H -0.612100 0.090031 2.740650
H -1.480514 0.596048 -0.740387
H -2.967579 0.151573 -2.087634
H -4.787114 -1.666108 1.413100
H -4.464303 -1.164320 -3.565039
H -6.320543 -3.003426 -0.089790
H 2.416297 -2.395378 -0.302198
H 5.014456 1.051649 0.203787
H -6.148879 -2.748103 -2.585486
H 4.248735 -3.610648 -1.482910
H 6.866790 -0.173500 -0.990313
H 6.477260 -2.508763 -1.832104
H 1.031564 4.669466 -0.709189
H 1.560222 5.184416 0.953653
H 2.344014 3.760275 0.143266


