%chk=000275030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275030

0 1
O -0.697153 1.353513 -0.904510
N -1.488392 0.677732 1.108004
N -5.061546 0.441108 -0.121000
C 2.024858 1.087468 -0.194402
C 1.983734 2.560432 0.261213
C 3.416687 0.481455 0.070434
C 0.923274 0.266000 0.537980
C 3.083197 3.378865 -0.428780
C 4.513313 1.302354 -0.621629
C 4.471619 2.772746 -0.183649
C 0.984185 -1.198605 0.168947
C -0.464216 0.799238 0.161836
C 1.398680 -2.144654 1.118336
C 0.631459 -1.620422 -1.123028
C -2.861005 1.112697 0.740140
C -1.353557 -0.157565 2.321095
C -3.644835 -0.021449 0.042392
C 1.457892 -3.498998 0.776465
C 0.692120 -2.974293 -1.458196
C 1.104445 -3.916889 -0.509786
C -5.197284 1.330017 -1.313916
C -5.984345 -0.727353 -0.243352
H 1.812059 1.051610 -1.292469
H 0.993546 2.996892 0.019314
H 2.098393 2.628151 1.357911
H 3.612065 0.437132 1.157665
H 3.451399 -0.564220 -0.291056
H 1.090025 0.391465 1.637616
H 3.055802 4.422854 -0.065635
H 2.882145 3.428486 -1.516890
H 4.392524 1.236153 -1.720314
H 5.504716 0.868095 -0.395882
H 5.238920 3.351961 -0.729350
H 4.731031 2.851867 0.889068
H 1.685491 -1.828483 2.118704
H 0.308721 -0.883546 -1.862837
H -3.398102 1.454335 1.651261
H -2.779066 1.995205 0.060174
H -1.101220 -1.203801 2.072086
H -2.294054 -0.166600 2.897028
H -0.566537 0.247989 2.980277
H -3.623277 -0.934622 0.673214
H -3.148398 -0.288913 -0.915237
H 1.782905 -4.229673 1.515267
H 0.418651 -3.296218 -2.462107
H 1.151720 -4.971130 -0.773722
H -4.992079 0.844484 -2.279309
H -6.219964 1.737938 -1.338782
H -4.507967 2.184475 -1.212148
H -7.018492 -0.357236 -0.333587
H -5.782043 -1.391526 -1.096008
H -5.935846 -1.321619 0.682756


%chk=000275030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275030

0 1
O -0.707317 1.257481 -1.032639
N -1.503209 0.628140 1.056124
N -5.125066 0.463089 -0.135276
C 2.026880 1.070068 -0.192283
C 1.975014 2.544424 0.288120
C 3.440029 0.481116 0.050458
C 0.915404 0.217013 0.502971
C 3.072417 3.406231 -0.380766
C 4.539782 1.339625 -0.619108
C 4.480686 2.810952 -0.147169
C 0.995384 -1.272376 0.139346
C -0.486314 0.750822 0.117535
C 1.455441 -2.226816 1.081810
C 0.640002 -1.716670 -1.161859
C -2.852390 1.124043 0.699018
C -1.334722 -0.021090 2.370476
C -3.741096 -0.001715 0.116975
C 1.564187 -3.593515 0.737106
C 0.748780 -3.081010 -1.508482
C 1.211198 -4.025866 -0.561636
C -5.227492 1.370172 -1.299592
C -6.081620 -0.658880 -0.239391
H 1.814227 1.059493 -1.280725
H 0.979507 2.973163 0.070490
H 2.116331 2.569777 1.391296
H 3.631917 0.433150 1.144870
H 3.492934 -0.556830 -0.327342
H 1.063542 0.315262 1.596776
H 3.023933 4.444139 0.003027
H 2.874472 3.458793 -1.471195
H 4.403824 1.306407 -1.720216
H 5.536957 0.906491 -0.407001
H 5.246308 3.414890 -0.672408
H 4.721111 2.856912 0.935878
H 1.746784 -1.894724 2.086944
H 0.272020 -0.986627 -1.892547
H -3.339976 1.543069 1.598112
H -2.717650 1.928009 -0.042354
H -0.763979 -0.960853 2.283444
H -2.330893 -0.270577 2.771916
H -0.830469 0.641806 3.101078
H -3.792464 -0.830478 0.849800
H -3.249673 -0.404191 -0.803631
H 1.925957 -4.316288 1.477513
H 0.471741 -3.409231 -2.516986
H 1.295031 -5.084366 -0.832664
H -4.942098 0.876095 -2.262682
H -6.267210 1.731887 -1.391922
H -4.575681 2.249185 -1.164635
H -7.108140 -0.262047 -0.340024
H -5.886652 -1.330893 -1.113841
H -6.041492 -1.271759 0.678890


