%chk=000273613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273613

0 1
S -4.030369 -2.010719 0.378122
O 1.138513 1.089530 -1.317737
N 4.740856 -0.565867 0.223444
N 1.160691 0.373888 0.850832
N -5.166434 0.295091 -0.261959
N -6.728693 -1.449633 0.316896
C 3.277090 -0.849694 0.355554
C 2.638973 0.428122 0.950459
C 5.152700 -0.404881 -1.211723
C 5.567408 -1.606919 0.920502
C 4.514694 0.838782 -1.827445
C 6.971440 -1.063230 1.191758
C 0.515854 0.711287 -0.338519
C -0.978893 0.598391 -0.295019
C -1.594848 -0.618044 0.021128
C -2.981198 -0.659279 0.021563
C -3.764721 0.491040 -0.292906
C -1.739481 1.739265 -0.621896
C -3.131093 1.700620 -0.618369
C -5.469317 -0.947629 0.081181
H 3.071085 -1.718470 1.011170
H 2.799511 -1.082548 -0.622575
H 3.014242 1.324279 0.396694
H 2.934211 0.559071 2.011219
H 6.260806 -0.293887 -1.231957
H 4.909423 -1.299513 -1.825770
H 5.079869 -1.845123 1.892250
H 5.630837 -2.559601 0.351462
H 0.648151 0.046184 1.659736
H 3.413147 0.780907 -1.853219
H 4.766447 1.740166 -1.255472
H 4.855861 0.986837 -2.856428
H 7.549386 -0.939796 0.268784
H 6.921392 -0.074852 1.669566
H 7.531219 -1.730994 1.853626
H -1.003409 -1.504531 0.248373
H -1.220057 2.664017 -0.889287
H -3.728580 2.578028 -0.866001
H -6.879960 -2.444030 0.227065
H -7.519655 -0.874065 0.043201


%chk=000273613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273613

0 1
S -4.223656 -1.728586 1.214597
O 1.079618 1.284945 -1.207562
N 4.799607 -0.596292 0.106199
N 1.134581 0.177546 0.830392
N -5.261502 0.136017 -0.468867
N -6.906537 -1.282288 0.523547
C 3.330312 -0.801325 0.081000
C 2.603075 0.277652 0.928274
C 5.349281 -0.103797 -1.184572
C 5.563664 -1.730432 0.688173
C 4.825644 1.291740 -1.576359
C 6.945199 -1.319931 1.235451
C 0.458655 0.685579 -0.268080
C -1.037590 0.517327 -0.289584
C -1.715445 -0.476919 0.467573
C -3.112503 -0.554340 0.372525
C -3.869874 0.332360 -0.466550
C -1.779487 1.387255 -1.136772
C -3.179549 1.306692 -1.226457
C -5.618506 -0.858625 0.320397
H 3.070349 -1.806853 0.469608
H 2.936098 -0.745733 -0.953596
H 2.915134 1.271371 0.566255
H 2.899522 0.188446 1.988205
H 6.449046 -0.055279 -1.087692
H 5.130091 -0.826435 -2.013534
H 4.965791 -2.134919 1.526722
H 5.689809 -2.567586 -0.047103
H 0.608670 -0.199420 1.618246
H 3.728470 1.306248 -1.706721
H 5.091940 2.031771 -0.800105
H 5.282504 1.609827 -2.532297
H 7.624171 -0.972650 0.436347
H 6.833666 -0.501983 1.968847
H 7.430592 -2.180858 1.732344
H -1.163690 -1.197968 1.080327
H -1.218072 2.119817 -1.724785
H -3.750556 1.978044 -1.873875
H -7.127473 -2.060220 1.137607
H -7.653950 -0.797998 0.030178


