%chk=000241732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241732

0 1
S -0.987567 1.661038 -0.629637
O -1.784874 2.801338 -0.215925
O -0.563559 1.542522 -2.008013
N 0.402079 1.808234 0.382267
C -1.712923 0.177096 -0.143344
C -2.338127 0.016708 1.100081
C -1.670249 -0.891065 -1.054680
C -2.241177 -2.125180 -0.738818
C -2.913523 -1.231934 1.418716
C 1.582262 1.020918 0.294732
C -2.865141 -2.286223 0.515159
C -2.406775 1.121485 2.097340
C 1.848886 0.208991 -0.824799
C 2.493110 1.051214 1.372057
C -2.196721 -3.264470 -1.702956
C 3.901120 -0.569208 0.230834
C 2.997077 -0.579993 -0.844108
C 3.640014 0.259565 1.332005
C 5.128373 -1.420975 0.184947
H -1.186933 -0.750313 -2.030365
H 0.452034 2.602905 1.031804
H -3.399761 -1.368056 2.383757
H -3.313153 -3.246486 0.774591
H -1.433428 1.286368 2.583748
H -2.702968 2.087195 1.636594
H -3.133739 0.931855 2.898183
H 1.190496 0.217396 -1.697234
H 2.306335 1.685723 2.233870
H -3.204575 -3.643503 -1.925420
H -1.741774 -2.989500 -2.664516
H -1.611230 -4.104265 -1.301051
H 3.198203 -1.206248 -1.712906
H 4.337597 0.288749 2.168010
H 5.691274 -1.402418 1.126600
H 4.881477 -2.471415 -0.021398
H 5.812955 -1.083447 -0.606623


%chk=000241732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241732

0 1
S -0.826596 1.717543 -0.260814
O -1.732230 3.011551 0.151300
O -0.097848 1.668578 -1.722149
N 0.513288 1.562758 1.257339
C -1.799465 0.099408 -0.072455
C -2.582835 -0.132262 1.081203
C -1.690536 -0.780460 -1.162781
C -2.405454 -2.002329 -1.139184
C -3.286738 -1.367248 1.079298
C 1.717660 0.898630 0.887771
C -3.203033 -2.275247 0.002599
C -2.684371 0.830587 2.246093
C 1.741927 -0.525081 0.929767
C 2.900522 1.595724 0.514444
C -2.317839 -2.985539 -2.292506
C 4.116447 -0.532615 0.268275
C 2.921338 -1.222195 0.618093
C 4.084481 0.885707 0.231090
C 5.383252 -1.300146 -0.060866
H -1.058916 -0.502658 -2.013965
H 0.659463 2.582183 1.415791
H -3.913258 -1.608399 1.945724
H -3.769792 -3.213357 0.047580
H -1.680634 1.064148 2.645624
H -3.128568 1.790652 1.929298
H -3.299685 0.399637 3.052982
H 0.832315 -1.057797 1.226976
H 2.886789 2.690864 0.450071
H -3.322600 -3.245594 -2.673470
H -1.734288 -2.573046 -3.132299
H -1.834144 -3.929602 -1.977803
H 2.926836 -2.318267 0.658032
H 4.992386 1.436985 -0.039954
H 6.231580 -0.621751 -0.252855
H 5.669962 -1.977000 0.765749
H 5.245680 -1.929760 -0.960499


