%chk=000239130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239130

0 1
S 0.903182 3.744891 0.713793
N 4.979639 -1.678783 -0.007302
N -4.579344 -2.247902 -0.228239
C -0.004463 1.097189 0.878865
C 1.294274 0.361399 0.604160
C -1.208750 0.230324 0.552827
C -0.083692 2.402210 0.159656
C 1.790634 -0.526905 1.571021
C -2.343325 0.287016 1.375641
C 2.007800 0.524254 -0.590537
C -1.224611 -0.620839 -0.560391
C 3.697084 -1.066090 0.154206
C -3.486412 -1.348612 -0.021359
C 2.969842 -1.234288 1.355751
C -3.468739 -0.484822 1.098025
C 3.190558 -0.176347 -0.819511
C -2.342986 -1.398748 -0.850995
C -0.830156 2.792925 -0.908919
C -0.618592 4.173518 -1.288979
C 0.284986 4.822812 -0.509015
C 5.201141 -2.938371 0.757965
C 5.473016 -1.806687 -1.407437
C -5.889672 -1.826058 0.342694
C -4.740789 -2.774061 -1.613019
H -0.034615 1.318819 1.986664
H 1.244751 -0.674219 2.503215
H -2.353405 0.946898 2.243338
H 1.639329 1.208733 -1.356773
H -0.348808 -0.680073 -1.208917
H 3.332282 -1.907272 2.129454
H -4.327930 -0.424418 1.761843
H 3.725185 -0.014452 -1.752299
H -2.316569 -2.057392 -1.715726
H -1.529091 2.157936 -1.437705
H -1.150318 4.613482 -2.121667
H 0.622580 5.841192 -0.572495
H 5.052477 -2.744538 1.835096
H 6.246923 -3.262951 0.634001
H 4.539084 -3.764877 0.457208
H 6.501033 -2.203773 -1.398161
H 5.522340 -0.805450 -1.871059
H 4.852052 -2.457087 -2.042359
H -5.783157 -1.671053 1.430978
H -6.625556 -2.635154 0.206911
H -6.294937 -0.905041 -0.103807
H -3.816137 -3.295973 -1.916989
H -4.967966 -1.999234 -2.361244
H -5.548774 -3.523428 -1.627808


%chk=000239130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239130

0 1
S 1.057134 3.731941 0.758521
N 4.903153 -1.920792 -0.188355
N -4.821034 -1.965570 -0.445023
C -0.001900 1.038970 0.875126
C 1.313063 0.296965 0.585351
C -1.253099 0.211652 0.522767
C -0.069482 2.409756 0.215829
C 1.825702 -0.627979 1.527953
C -2.457931 0.412260 1.241824
C 2.030032 0.458535 -0.624350
C -1.272401 -0.734891 -0.529097
C 3.727503 -1.199226 0.063344
C -3.656014 -1.251885 -0.130031
C 3.001837 -1.361961 1.286385
C -3.634803 -0.295697 0.935338
C 3.208696 -0.265819 -0.888665
C -2.439379 -1.453862 -0.855219
C -0.888163 2.870746 -0.804406
C -0.657671 4.247830 -1.178707
C 0.342636 4.859547 -0.443258
C 5.415614 -2.861663 0.812618
C 5.632453 -1.716404 -1.443573
C -6.048118 -1.744587 0.326594
C -4.806286 -2.946879 -1.534321
H -0.037571 1.205627 1.973476
H 1.291108 -0.781261 2.474682
H -2.477999 1.145196 2.058992
H 1.668184 1.176789 -1.369677
H -0.353534 -0.928371 -1.093691
H 3.357265 -2.057943 2.051662
H -4.535099 -0.106523 1.526902
H 3.727790 -0.097385 -1.836687
H -2.398506 -2.179646 -1.672573
H -1.647510 2.235319 -1.265690
H -1.219702 4.761585 -1.962977
H 0.721586 5.878292 -0.506347
H 5.662086 -2.356863 1.770209
H 6.335866 -3.334843 0.434173
H 4.685751 -3.667901 1.034016
H 6.526966 -2.359495 -1.457634
H 5.967946 -0.664944 -1.562037
H 5.014411 -1.975072 -2.328505
H -5.913000 -1.988009 1.401279
H -6.850191 -2.389269 -0.066988
H -6.395144 -0.692483 0.259890
H -4.080024 -3.765270 -1.346594
H -4.544928 -2.480698 -2.506964
H -5.805896 -3.399118 -1.634962


