%chk=000268610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268610

0 1
S 5.121146 -2.945165 0.582373
O -4.131594 2.692794 1.202254
O -1.992798 2.970294 1.264968
O -4.933850 -2.896753 -1.251841
O -6.158445 -1.274263 -0.507457
N -0.370348 1.140444 0.432017
N 0.857857 0.563831 0.160798
N -2.998163 2.303695 0.999396
N -5.082435 -1.789550 -0.761142
C 3.249184 0.644813 0.135085
C 4.280275 1.417452 -0.440463
C -1.515389 0.424896 0.134491
C 3.473291 -0.703752 0.465105
C -2.806515 0.985905 0.412924
C 5.532616 0.819432 -0.663172
C 4.724713 -1.269839 0.239152
C 5.761845 -0.512720 -0.322952
C -1.454111 -0.882057 -0.453024
C -3.971281 0.244390 0.112209
C -3.870593 -1.018595 -0.451265
C 4.062542 2.844997 -0.820664
C 1.933654 1.259982 0.407332
C -2.594136 -1.585396 -0.738830
C 3.797396 -3.557849 1.642702
H 2.655723 -1.287974 0.889924
H 6.337870 1.405087 -1.107158
H -0.467939 -1.308201 -0.674823
H 6.745164 -0.955057 -0.496922
H -4.963209 0.682147 0.331116
H 3.907665 3.480073 0.063709
H 4.918454 3.270854 -1.364365
H 3.188704 2.963264 -1.477917
H 1.969798 2.287331 0.808560
H -2.553136 -2.586656 -1.189824
H -0.451707 2.101244 0.851099
H 2.838847 -3.623651 1.116024
H 3.671235 -2.950715 2.546168
H 4.079767 -4.573932 1.957015


%chk=000268610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268610

0 1
S 5.172025 -3.022580 0.415431
O -4.144282 2.955659 -0.233544
O -1.878095 3.187361 -0.234688
O -5.031678 -3.224641 0.420769
O -6.281750 -1.322383 0.207905
N -0.347594 1.092342 -0.008750
N 0.881232 0.454974 0.060837
N -2.964889 2.446224 -0.167663
N -5.150594 -1.942856 0.282587
C 3.302599 0.707663 0.045137
C 4.424194 1.595340 -0.033702
C -1.514839 0.365609 0.060850
C 3.503159 -0.698230 0.181625
C -2.812084 1.000191 -0.014036
C 5.719534 1.023178 0.029245
C 4.798772 -1.238601 0.241215
C 5.917653 -0.364072 0.163875
C -1.481012 -1.060418 0.211976
C -4.000217 0.240485 0.058360
C -3.912142 -1.147843 0.206296
C 4.273396 3.101511 -0.179085
C 1.941591 1.244245 -0.013189
C -2.652402 -1.807514 0.284252
C 3.461041 -3.789324 0.456092
H 2.612933 -1.330148 0.237109
H 6.594995 1.679725 -0.028817
H -0.499885 -1.534667 0.268473
H 6.935065 -0.768495 0.207954
H -4.971128 0.738883 -0.001370
H 3.727684 3.550696 0.672244
H 5.263685 3.584240 -0.222473
H 3.733013 3.380761 -1.103404
H 1.828338 2.337616 -0.121695
H -2.631231 -2.894190 0.400172
H -0.467769 2.123383 -0.115400
H 2.919740 -3.581289 -0.480090
H 2.893109 -3.429096 1.328126
H 3.629930 -4.872940 0.549977


