%chk=000246480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246480

0 1
S -0.162367 -0.108376 -2.170878
P 0.366570 0.076952 -0.341936
O -0.451915 -0.931526 0.734421
N 2.015064 -0.373052 -0.004079
N 0.097846 1.650574 0.341406
C 2.581105 -1.761575 -0.141568
C 0.698057 2.934600 -0.163891
C 2.431112 -1.105163 1.232970
C 1.074331 2.374015 1.210955
C 3.934830 -1.799304 -0.808833
C 1.697009 -2.934915 -0.483611
C -0.297000 4.065451 -0.264835
C 1.739993 2.937311 -1.254474
C -1.847686 -0.892040 0.671216
C -2.494285 -1.912892 -0.037535
C -2.542110 0.075451 1.408221
C -3.889841 -1.959337 0.005342
C -3.936829 0.004162 1.433595
C -4.608936 -1.008104 0.738368
H 1.698578 -1.487756 1.950473
H 3.298394 -0.680741 1.746869
H 2.083081 1.996078 1.395556
H 0.642853 2.796500 2.123840
H 4.506133 -0.875831 -0.637471
H 4.535087 -2.639115 -0.440340
H 3.831816 -1.904092 -1.898430
H 2.219412 -3.884612 -0.312392
H 0.770444 -2.972245 0.110710
H 1.396306 -2.916215 -1.543623
H 0.182581 5.034413 -0.087311
H -0.763150 4.089138 -1.260471
H -1.118890 3.956641 0.458020
H 2.552318 2.213804 -1.091843
H 1.295383 2.698961 -2.235195
H 2.210772 3.924176 -1.346638
H -1.919539 -2.636772 -0.610601
H -2.003281 0.863220 1.932734
H -4.419248 -2.739498 -0.540441
H -4.503214 0.744417 1.997176
H -5.695586 -1.052402 0.763223


%chk=000246480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246480

0 1
S -0.023801 -0.177059 -2.421980
P 0.413311 0.045307 -0.415823
O -0.543265 -0.949172 0.725888
N 2.053439 -0.396146 0.076687
N 0.094968 1.650622 0.242808
C 2.694507 -1.770962 -0.101512
C 0.711313 2.949463 -0.263029
C 2.388776 -1.238826 1.294875
C 1.075214 2.402292 1.116431
C 4.120813 -1.695708 -0.631069
C 1.859087 -2.928794 -0.639525
C -0.299821 4.082055 -0.375883
C 1.774893 2.905292 -1.356494
C -1.962772 -0.916497 0.739801
C -2.686524 -1.803250 -0.089188
C -2.624196 -0.049353 1.638011
C -4.096861 -1.827391 -0.003013
C -4.033915 -0.086737 1.717825
C -4.773486 -0.974320 0.900035
H 1.547819 -1.686925 1.835836
H 3.194099 -0.829043 1.915404
H 2.079174 1.973605 1.230002
H 0.635593 2.838400 2.020393
H 4.642222 -0.807062 -0.237254
H 4.686538 -2.599125 -0.336139
H 4.118443 -1.634176 -1.734121
H 2.369627 -3.884171 -0.417644
H 0.855506 -2.953470 -0.181890
H 1.735872 -2.844819 -1.733579
H 0.208685 5.060789 -0.292515
H -0.815424 4.039971 -1.351846
H -1.062505 4.006764 0.417054
H 2.496804 2.086540 -1.190540
H 1.310254 2.753301 -2.346488
H 2.327237 3.863222 -1.372746
H -2.147453 -2.451437 -0.786872
H -2.032533 0.637956 2.249834
H -4.665321 -2.511360 -0.643007
H -4.554238 0.578774 2.415860
H -5.866880 -0.998250 0.964110


