%chk=000240286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240286

0 1
S -2.868277 -1.413432 1.290028
O 3.495745 -0.919226 -1.312247
O 5.383105 -1.190235 1.285529
O 3.978405 1.932543 0.715694
O 3.942010 0.989885 -3.647506
N 2.017052 -1.646527 0.369304
N -0.000825 -2.750524 0.589123
N 1.196791 0.688471 0.792266
N -1.250789 0.734692 1.237274
N 0.064995 2.695030 1.330034
N -6.046865 -0.290465 0.286244
C 4.178406 -0.497467 0.954359
C 3.437130 -1.472518 0.001830
C 4.486355 0.765901 0.100951
C 3.817052 0.507345 -1.271310
C 4.728200 0.744116 -2.479402
C 1.055925 -0.665730 0.647992
C 1.292019 -2.901080 0.324367
C -0.199493 -1.373064 0.797049
C -1.341714 -0.603487 1.098662
C 0.008775 1.333246 1.098021
C -4.068896 -0.113430 1.679731
C -4.795045 0.234849 0.421285
C -4.216181 1.062642 -0.561675
C -4.947402 1.340314 -1.717654
C -6.742725 -0.008117 -0.844865
C -6.228964 0.801437 -1.870656
H 3.614201 -0.245315 1.877726
H 3.932717 -2.473790 -0.075761
H 5.580194 0.959072 0.035549
H 2.852154 1.054774 -1.373638
H 5.400504 -0.116884 -2.654536
H 5.316623 1.677498 -2.374494
H 5.827845 -0.753055 2.045470
H 2.991764 1.854226 0.855482
H 1.803923 -3.829296 0.106771
H 3.417368 0.188708 -3.873250
H -3.589635 0.778207 2.139398
H -4.756639 -0.531615 2.452480
H 0.891489 3.215150 1.080220
H -0.796654 3.213081 1.426859
H -3.214760 1.466365 -0.419064
H -4.521405 1.972471 -2.496786
H -7.742322 -0.453120 -0.914597
H -6.815952 1.001654 -2.762656


%chk=000240286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240286

0 1
S -2.937765 -1.637439 1.257978
O 3.345013 -0.480564 -1.508250
O 5.450278 -1.087070 0.904427
O 3.341326 1.983054 0.570229
O 5.318544 -0.000039 -3.495863
N 1.971863 -1.509574 0.157610
N 0.064818 -2.772829 0.433567
N 1.019421 0.731277 0.636786
N -1.371765 0.640738 1.150053
N -0.197525 2.671048 1.147380
N -6.282518 -0.259366 0.522529
C 4.176728 -0.361616 0.777836
C 3.354908 -1.212381 -0.231903
C 4.337735 1.043703 0.106645
C 4.232450 0.731066 -1.405769
C 5.559147 0.403348 -2.107552
C 0.952722 -0.616329 0.486320
C 1.366564 -2.791888 0.129490
C -0.219593 -1.410945 0.659255
C -1.406234 -0.709738 1.005857
C -0.180042 1.309241 0.974253
C -4.147755 -0.227664 1.714756
C -4.994441 0.208764 0.544612
C -4.477169 1.060929 -0.466780
C -5.315696 1.439955 -1.536109
C -7.080273 0.116911 -0.519351
C -6.645942 0.958937 -1.567872
H 3.675074 -0.258875 1.758848
H 3.864092 -2.185059 -0.360117
H 5.319745 1.483928 0.359657
H 3.699163 1.533567 -1.941971
H 6.102317 -0.386076 -1.547446
H 6.191344 1.306500 -2.167455
H 6.035387 -0.611438 1.545938
H 2.407737 1.527792 0.548101
H 1.941213 -3.682702 -0.116350
H 4.604346 -0.689957 -3.474918
H -3.508140 0.583054 2.097792
H -4.780973 -0.654772 2.505480
H 0.657936 3.211132 1.034589
H -1.066069 3.121155 1.421761
H -3.438054 1.399357 -0.402681
H -4.941334 2.095333 -2.329885
H -8.103031 -0.277117 -0.501793
H -7.329350 1.225951 -2.380082


