%chk=000278319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278319

0 1
S 0.846195 0.051308 0.832420
O -6.005200 0.460942 1.267005
N -3.929497 -1.315898 0.880766
N -2.072588 -0.715849 2.080672
N -0.628070 -0.395162 -1.379758
N -2.978510 -1.068272 -1.437995
N -5.258254 -1.637459 0.632524
C 2.126780 0.373903 -0.445930
C 2.218642 1.863254 -0.615745
C 3.360066 -0.324899 0.051880
C -0.604985 -0.356468 -0.029804
C -1.771359 -0.664460 0.709227
C -2.939429 -1.011586 -0.068689
C 1.272447 2.498260 -1.442035
C 4.113466 -1.089060 -0.854929
C 3.209200 2.634402 0.007992
C 3.768374 -0.245512 1.392941
C -3.353667 -1.078726 2.178086
C 1.312449 3.880728 -1.625182
C 5.257431 -1.765402 -0.424419
C 3.245809 4.020097 -0.180629
C 4.910677 -0.929812 1.818509
C 2.298841 4.646972 -0.993540
C 5.657414 -1.689737 0.913363
C -1.799976 -0.747192 -2.024254
C -6.246921 -0.578466 0.706123
C -7.566448 -0.992172 0.135076
H 1.799151 -0.087787 -1.421219
H 0.500127 1.909606 -1.940046
H 3.808914 -1.155777 -1.898560
H 3.963342 2.164894 0.638312
H 3.206181 0.347256 2.115992
H -3.932952 -1.204522 3.085668
H 0.572851 4.364498 -2.261112
H 5.837080 -2.354441 -1.133556
H 4.018041 4.609994 0.310431
H 5.217853 -0.870029 2.861830
H 2.327168 5.724986 -1.136252
H 6.545983 -2.220824 1.248636
H -5.348122 -2.335771 -0.127216
H -1.758747 -0.765214 -3.125858
H -7.553368 -1.006196 -0.965303
H -8.348966 -0.271258 0.432769
H -7.898826 -1.982149 0.480508


%chk=000278319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278319

0 1
S 0.403159 1.320156 0.864291
O -6.340458 -0.149905 0.274443
N -3.910833 -1.271009 1.081359
N -2.512448 0.237903 2.082877
N -0.544013 -0.428105 -1.064646
N -2.635143 -1.704461 -1.006949
N -5.061473 -2.017340 0.845575
C 1.860139 1.148433 -0.418938
C 2.509334 2.523035 -0.557343
C 2.766334 -0.010481 -0.042589
C -0.776479 0.150062 0.150784
C -1.973695 -0.171497 0.844875
C -2.839389 -1.099780 0.190212
C 1.761157 3.574568 -1.154119
C 3.104362 -0.963743 -1.036033
C 3.841692 2.783542 -0.151939
C 3.309012 -0.160632 1.260332
C -3.667446 -0.430403 2.187631
C 2.326631 4.852956 -1.334045
C 3.977774 -2.035438 -0.741379
C 4.410403 4.066222 -0.332394
C 4.178008 -1.232229 1.558280
C 3.657113 5.105579 -0.920537
C 4.519719 -2.171893 0.556645
C -1.459500 -1.307133 -1.578312
C -6.235344 -1.397916 0.361311
C -7.332128 -2.383560 -0.015306
H 1.312565 0.892235 -1.343341
H 0.726740 3.385733 -1.465755
H 2.675282 -0.867884 -2.040145
H 4.443485 1.982383 0.287848
H 3.025957 0.548392 2.046943
H -4.375957 -0.356614 3.009010
H 1.733798 5.651247 -1.794491
H 4.227506 -2.764417 -1.520540
H 5.443185 4.249486 -0.014938
H 4.584254 -1.338111 2.570557
H 4.098617 6.098902 -1.058808
H 5.192804 -3.004900 0.788875
H -4.940878 -3.031963 0.808869
H -1.220054 -1.738720 -2.553859
H -7.455681 -2.373392 -1.112577
H -8.283698 -2.050030 0.429464
H -7.125817 -3.418282 0.307502


