%chk=000197732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197732

0 1
O 3.264570 -0.577587 0.000196
N -0.320129 -0.688177 0.000293
N 1.541732 -2.105345 0.000285
N 2.084173 2.857695 0.000172
C 0.886509 0.198733 0.000254
C 0.952574 1.060168 -1.275644
C 0.952587 1.060246 1.276098
C 2.074500 -0.817468 0.000271
C 0.056498 -2.135426 0.000246
C 2.157171 2.013366 -1.233306
C 2.157188 2.013434 1.233696
C -1.665363 -0.287721 0.000133
C 2.321093 -3.350956 0.000121
C -2.691253 -1.265055 -0.000139
C -2.019497 1.083297 0.000260
C -4.027142 -0.863436 -0.000280
C -3.360402 1.454108 0.000110
C -4.374552 0.489376 -0.000162
H 0.017938 1.656982 -1.365394
H 0.996580 0.423660 -2.177899
H 0.996586 0.423795 2.178393
H 0.017951 1.657077 1.365801
H -0.331646 -2.648334 0.913535
H -0.331606 -2.648290 -0.913084
H 3.101979 1.423583 -1.299127
H 2.126595 2.692545 -2.112107
H 2.126626 2.692661 2.112461
H 3.101995 1.423651 1.299537
H 2.869227 3.519821 0.000148
H 2.107852 -3.953900 0.898669
H 3.402903 -3.104731 0.000324
H 2.108108 -3.953525 -0.898741
H -2.465191 -2.324308 -0.000249
H -1.246804 1.854835 0.000494
H -4.810403 -1.622093 -0.000491
H -3.621994 2.512968 0.000206
H -5.417156 0.789948 -0.000280


%chk=000197732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197732

0 1
O 3.307661 -0.668252 -0.000065
N -0.294841 -0.686642 0.000287
N 1.482260 -2.147897 0.000210
N 2.009426 2.894219 0.000246
C 0.931010 0.169929 0.000306
C 1.044534 1.034097 -1.300418
C 1.044474 1.034168 1.300987
C 2.062186 -0.890976 0.000400
C 0.021441 -2.123904 0.000263
C 2.181580 2.075729 -1.225753
C 2.181502 2.075822 1.226321
C -1.636520 -0.273012 0.000145
C 2.243426 -3.393259 -0.000070
C -2.677429 -1.256638 0.000116
C -2.031525 1.102931 -0.000010
C -4.035937 -0.880733 -0.000031
C -3.394051 1.459621 -0.000164
C -4.414114 0.480021 -0.000171
H 0.091947 1.564453 -1.463503
H 1.201065 0.362271 -2.165834
H 1.200980 0.362386 2.166441
H 0.091875 1.564517 1.464007
H -0.385022 -2.641693 0.899647
H -0.385073 -2.641635 -0.899133
H 3.163914 1.551265 -1.251252
H 2.119543 2.738554 -2.108867
H 2.119392 2.738711 2.109382
H 3.163842 1.551378 1.251928
H 2.626210 3.717220 0.000234
H 2.022395 -3.998808 0.899496
H 3.313016 -3.126400 0.000014
H 2.022434 -3.998399 -0.899922
H -2.434426 -2.323678 0.000211
H -1.286619 1.901218 -0.000033
H -4.803106 -1.664064 -0.000042
H -3.657775 2.523791 -0.000283
H -5.469879 0.769284 -0.000291


