%chk=000238691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238691

0 1
O 2.654377 -1.938595 1.490749
N -0.867288 -1.049496 -1.247517
C 1.424786 -1.518501 -0.536599
C 0.179664 -2.141048 -1.273303
C 1.075317 -0.035576 -0.482267
C -0.399724 -3.401247 -0.609779
C -0.194054 0.177230 -0.920655
C 1.588658 -2.027345 0.917641
C 2.714155 -1.787379 -1.306060
C -0.552744 -3.234436 0.877144
C 0.399366 -2.596424 1.575900
C -0.900977 1.491880 -1.018282
C 2.031792 0.993077 -0.068385
C -1.783248 -1.031121 -2.413455
C -1.770396 -3.824408 1.499883
C -2.244816 1.522222 -0.338729
C 2.527469 1.058883 1.243101
C 2.455265 1.946081 -1.014270
C 3.428688 2.064630 1.602487
C 3.355127 2.948705 -0.647939
C -3.317779 2.190648 -0.947588
C -2.424469 0.918056 0.915657
C 3.842331 3.012453 0.661639
C -4.557424 2.254411 -0.304244
C -3.665574 0.984340 1.551769
C -4.734665 1.652796 0.944795
H 0.464342 -2.396139 -2.324368
H 0.267981 -4.265864 -0.811527
H -1.369876 -3.653432 -1.084628
H 3.579778 -1.402282 -0.738700
H 2.885185 -2.856500 -1.462876
H 2.721659 -1.283756 -2.277900
H 0.370399 -2.478011 2.656790
H -0.988702 1.779466 -2.089198
H -0.263267 2.289341 -0.559479
H -2.236857 -2.027789 -2.536781
H -1.303120 -0.744777 -3.361399
H -2.609373 -0.324625 -2.209398
H -1.943003 -4.859770 1.177267
H -2.662547 -3.239669 1.220013
H -1.725989 -3.830243 2.598163
H 2.224628 0.314738 1.980823
H 2.087573 1.891860 -2.035884
H 3.812028 2.105195 2.620946
H 3.680562 3.680736 -1.384271
H -3.189730 2.666853 -1.916533
H -1.594430 0.387475 1.384274
H 4.543444 3.793407 0.945680
H -5.386267 2.776711 -0.778735
H -3.800297 0.515261 2.524995
H -5.699156 1.705076 1.444234


%chk=000238691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238691

0 1
O 1.530492 -1.309186 2.259643
N -0.817351 -0.987390 -1.223263
C 1.295046 -1.455700 -0.196215
C 0.250901 -2.029121 -1.210329
C 1.092732 0.072066 -0.422486
C -0.265425 -3.440248 -0.892292
C -0.175789 0.249609 -0.951784
C 0.918520 -1.833595 1.275091
C 2.724403 -1.973074 -0.479267
C -0.698099 -3.608515 0.551058
C -0.124726 -2.843577 1.529932
C -0.926867 1.548764 -1.144579
C 2.088155 1.132807 -0.155881
C -1.888904 -1.094956 -2.215855
C -1.727677 -4.671421 0.847577
C -2.222058 1.655764 -0.328962
C 2.916290 1.143692 1.005772
C 2.280654 2.177433 -1.113580
C 3.869861 2.164536 1.206002
C 3.225665 3.203263 -0.903489
C -3.378273 2.249142 -0.894734
C -2.270708 1.218367 1.019215
C 4.028248 3.205419 0.261172
C -4.557891 2.409495 -0.131463
C -3.446912 1.376685 1.783838
C -4.596041 1.973137 1.212395
H 0.737527 -2.045418 -2.218278
H 0.544055 -4.168569 -1.110547
H -1.093817 -3.713386 -1.574178
H 3.439519 -1.540595 0.239416
H 2.779246 -3.075148 -0.391975
H 3.041185 -1.683529 -1.497343
H -0.384906 -2.985935 2.586419
H -1.162843 1.716060 -2.215066
H -0.252138 2.369792 -0.842640
H -2.426294 -2.051399 -2.093323
H -1.514869 -1.040416 -3.266010
H -2.625650 -0.290837 -2.059805
H -1.419690 -5.650457 0.430060
H -2.693922 -4.416586 0.367864
H -1.901555 -4.792288 1.929551
H 2.774008 0.360754 1.757398
H 1.713280 2.152732 -2.051712
H 4.486339 2.151491 2.112712
H 3.350144 3.989031 -1.658109
H -3.353537 2.595789 -1.936277
H -1.382506 0.754751 1.464657
H 4.768550 3.997032 0.423698
H -5.442084 2.873451 -0.583630
H -3.467254 1.036937 2.825704
H -5.508233 2.096446 1.807099


