%chk=000243472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243472

0 1
S 1.855292 -0.464577 -0.251858
O -5.242272 -1.368994 -0.837183
N -3.119744 -0.409031 -0.632220
N -1.165666 -1.626674 -0.760486
N -2.143034 1.806961 -0.005893
N 0.334618 1.698870 0.163687
N -0.865794 3.678206 0.674972
C -4.583518 -0.112712 -0.683112
C -5.104198 0.521973 0.616688
C -5.716896 -0.639645 1.415357
C -5.744974 -1.834248 0.453916
C -2.085989 0.475298 -0.320484
C -2.491493 -1.680589 -0.888251
C -0.862482 -0.299577 -0.407902
C 0.339725 0.388651 -0.151050
C -0.902681 2.356599 0.245572
C 3.100671 0.801418 0.161867
C 4.398346 0.067838 0.108751
C 5.117536 -0.009169 -1.095214
C 4.908733 -0.549217 1.262633
C 6.335175 -0.692678 -1.140148
C 6.127043 -1.230979 1.210592
C 6.842712 -1.303338 0.011157
H -4.802290 0.453492 -1.618896
H -5.857008 1.297492 0.386301
H -4.308998 1.043897 1.185391
H -5.112532 -0.864128 2.313270
H -6.727470 -0.384918 1.778796
H -5.088029 -2.662254 0.763656
H -6.755530 -2.205633 0.221436
H -3.088843 -2.542476 -1.160442
H 2.889303 1.242650 1.157089
H 3.047576 1.645602 -0.554472
H -1.688918 4.247284 0.540044
H 0.022218 4.159158 0.660048
H 4.724509 0.458649 -1.996686
H 4.352880 -0.501990 2.197972
H 6.888729 -0.751335 -2.076010
H 6.518432 -1.709146 2.107172
H 7.790962 -1.835528 -0.026758


%chk=000243472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243472

0 1
S 1.806045 -0.751280 -0.324316
O -5.463422 -1.247850 -0.889754
N -3.222055 -0.444604 -0.606072
N -1.338218 -1.749151 -0.820783
N -2.156180 1.708144 0.017450
N 0.299400 1.512131 0.134570
N -0.790234 3.538925 0.562162
C -4.660694 -0.048904 -0.698854
C -5.163508 0.594948 0.608743
C -5.503099 -0.646489 1.473225
C -6.047042 -1.653508 0.434473
C -2.139034 0.389073 -0.316631
C -2.677224 -1.710965 -0.914116
C -0.978294 -0.439590 -0.449038
C 0.265726 0.196197 -0.197626
C -0.894210 2.206312 0.225173
C 3.071609 0.629539 0.101713
C 4.460622 0.040403 0.100034
C 5.241311 0.031234 -1.085209
C 5.010809 -0.514964 1.284653
C 6.543867 -0.515331 -1.086117
C 6.312990 -1.061836 1.286811
C 7.084028 -1.063235 0.100780
H -4.790439 0.587057 -1.590700
H -6.075313 1.176706 0.382341
H -4.413902 1.265661 1.054734
H -4.591505 -1.035580 1.959081
H -6.243611 -0.419906 2.257711
H -5.745833 -2.696692 0.631659
H -7.145388 -1.600846 0.326924
H -3.317723 -2.539960 -1.200071
H 2.771341 1.027319 1.082698
H 2.935475 1.416222 -0.655578
H -1.632479 4.102856 0.626454
H 0.130774 3.938667 0.714527
H 4.823180 0.451338 -2.007957
H 4.412906 -0.520039 2.203968
H 7.135425 -0.514104 -2.008498
H 6.725477 -1.485582 2.209344
H 8.094524 -1.487113 0.101394


