%chk=000217878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217878

0 1
O -0.465589 0.993009 -0.454030
N -3.986544 -0.848826 0.386072
N 1.224545 -0.625030 -0.862666
N 2.468609 -0.985187 -0.784954
N 4.793518 -0.568392 -0.355806
N 5.572742 -0.512873 0.842409
C -3.529630 0.579208 0.329510
C -2.741213 0.818172 -0.969534
C -1.442156 0.026308 -1.018923
C -5.194854 -1.063233 -0.464367
C -4.269148 -1.254083 1.795446
C 0.827225 0.606383 -0.388533
C 1.747183 1.527650 0.182212
C 3.072269 1.138766 0.244572
C 3.421784 -0.146121 -0.257008
H -4.363878 1.308867 0.399609
H -2.861103 0.779879 1.196659
H -3.360948 0.556400 -1.850887
H -2.514273 1.902570 -1.063561
H -1.116177 -0.225493 -2.040813
H -1.439915 -0.876766 -0.382088
H -4.960979 -0.782359 -1.503683
H -6.089672 -0.507781 -0.148519
H -5.438634 -2.138191 -0.469453
H -4.563502 -2.316305 1.809637
H -5.054925 -0.672935 2.298698
H -3.341139 -1.173245 2.384455
H 1.398417 2.494138 0.540272
H 3.835442 1.803096 0.646112
H 4.872428 -1.535186 -0.736352
H 5.009491 -0.531616 1.698200
H 6.084027 0.377476 0.841016


%chk=000217878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217878

0 1
O -0.610253 0.987133 -0.395951
N -3.853575 -0.743476 0.429306
N 1.110590 -0.499211 -1.067941
N 2.411476 -0.931148 -0.984099
N 4.574556 -0.811526 -0.127634
N 5.623815 -0.339475 0.659770
C -3.551294 0.683750 0.159509
C -2.881607 0.905003 -1.215083
C -1.512357 0.234128 -1.319694
C -5.002571 -1.252868 -0.345109
C -3.997348 -1.030017 1.870961
C 0.701883 0.553937 -0.305677
C 1.563372 1.252187 0.588625
C 2.887634 0.822397 0.681292
C 3.280958 -0.288949 -0.131222
H -4.471151 1.320421 0.230005
H -2.851994 1.035722 0.939854
H -3.522308 0.510332 -2.027403
H -2.772827 1.992114 -1.393480
H -1.089652 0.282187 -2.339558
H -1.554478 -0.820780 -0.996641
H -4.830230 -1.118332 -1.426763
H -5.966877 -0.744319 -0.083935
H -5.124519 -2.334936 -0.158417
H -4.130717 -2.116808 2.021495
H -4.868799 -0.509279 2.345317
H -3.081094 -0.721241 2.404470
H 1.178062 2.092603 1.171735
H 3.602957 1.312519 1.347635
H 4.752709 -1.608831 -0.741255
H 5.558594 -0.529074 1.662919
H 6.020450 0.564135 0.390674


