%chk=000260138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260138

0 1
S 4.422523 -3.328057 0.089663
O 1.572469 0.698244 1.085003
O 2.145176 -2.136574 -0.439141
O 3.973436 -0.830734 -0.575607
O 2.742191 3.406018 0.987571
N -0.479709 0.301331 0.001452
N -1.995200 1.810235 -0.856468
N -2.107153 -1.401741 0.866015
N -4.436170 -0.782456 0.433769
N -5.061749 1.207222 -0.679769
C 1.612078 -0.821360 -0.777497
C 2.866147 0.083930 -0.853584
C 0.787074 -0.307830 0.433278
C 2.746602 1.079339 0.311596
C 2.579684 2.540207 -0.129901
C 3.502148 -2.081308 -0.303203
C -1.757212 -0.229381 0.251956
C -0.701350 1.560459 -0.664532
C -2.687012 0.717818 -0.302282
C -4.074636 0.398426 -0.189445
C -3.454864 -1.603408 0.918409
H 1.035434 -0.967819 -1.710595
H 3.099737 0.524297 -1.839675
H 0.592096 -1.100584 1.210027
H 3.586340 0.975148 1.045818
H 1.589011 2.719194 -0.601115
H 3.389681 2.861207 -0.816790
H 0.132070 2.203311 -0.935542
H 2.062546 3.201933 1.676234
H -3.799478 -2.533343 1.405962
H -4.831200 2.086233 -1.117841
H -6.033708 0.959844 -0.570063


%chk=000260138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260138

0 1
S 4.954995 -3.157274 -0.320625
O 1.507919 0.245542 1.133897
O 2.467024 -2.137311 -0.735278
O 4.161782 -0.587289 -0.733624
O 1.889667 3.038285 1.590582
N -0.457129 0.073679 -0.335759
N -1.945905 1.393227 -1.490715
N -2.023749 -0.967836 1.287145
N -4.334773 -0.181920 0.979696
N -4.955184 1.384296 -0.675109
C 1.782224 -0.843879 -0.990686
C 2.914962 0.220457 -0.844692
C 0.773926 -0.562308 0.145395
C 2.630417 0.979359 0.470139
C 2.247911 2.461942 0.302027
C 3.853754 -1.948650 -0.593286
C -1.717420 -0.138557 0.254041
C -0.666565 1.007243 -1.376157
C -2.615743 0.683779 -0.472818
C -3.983438 0.641326 -0.065842
C -3.359983 -0.927528 1.583183
H 1.318588 -0.912284 -1.986489
H 3.044746 0.874336 -1.721221
H 0.468435 -1.482503 0.670720
H 3.487708 0.897393 1.159721
H 1.423296 2.581031 -0.433696
H 3.122474 3.036134 -0.050190
H 0.133653 1.354312 -2.026953
H 1.217236 2.442601 2.014710
H -3.691687 -1.569212 2.404283
H -4.718470 2.001183 -1.449342
H -5.913670 1.310227 -0.339352


