%chk=000272955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272955

0 1
O 4.359999 1.149162 -2.406124
O 2.768805 2.242686 1.732567
O -1.939648 -0.141360 1.203066
O -0.729675 0.556617 -0.625393
N 2.106519 1.134329 -0.156820
N -0.534869 1.596810 1.455206
C 3.389678 0.413122 -0.321397
C 3.174754 -0.958026 -0.982117
C 2.521195 -1.931765 -0.042146
C 4.297069 1.309680 -1.211126
C 1.888541 1.958990 0.935680
C 3.307384 -2.692159 0.837754
C 1.126779 -2.084336 -0.035928
C 5.073662 2.350013 -0.473115
C 0.478917 2.572254 1.028561
C 2.702343 -3.598212 1.712242
C 0.527909 -2.992705 0.841083
C 1.312110 -3.751257 1.715674
C -2.720969 -1.052402 0.357620
C -3.893716 -0.319984 -0.226116
C -1.031144 0.667076 0.553159
C -5.147776 -0.382517 0.397393
C -3.733117 0.428387 -1.402108
C -6.238091 0.290977 -0.161289
C -4.825142 1.100909 -1.955141
C -6.078543 1.030828 -1.337286
H 3.874963 0.280865 0.687110
H 2.587185 -0.845995 -1.920698
H 4.154137 -1.350479 -1.334017
H 1.336408 0.862577 -0.785900
H 4.389390 -2.578361 0.840757
H 0.508111 -1.491875 -0.712602
H 6.028674 1.946136 -0.107369
H 5.318352 3.205500 -1.118954
H 4.537392 2.736439 0.413687
H 0.512101 3.408280 1.770160
H 0.191447 3.026024 0.047524
H 3.315812 -4.186483 2.392948
H -0.553727 -3.110581 0.844261
H 0.843236 -4.457904 2.396740
H -0.734145 1.513279 2.449905
H -2.057175 -1.484932 -0.415680
H -3.000798 -1.822601 1.101855
H -5.275567 -0.950276 1.317659
H -2.748398 0.491123 -1.875156
H -7.212377 0.240339 0.322082
H -4.699162 1.680792 -2.868408
H -6.929335 1.553916 -1.771200


%chk=000272955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272955

0 1
O 4.136278 0.967403 -2.705509
O 3.064223 1.905929 1.991904
O -1.952792 -0.257027 1.077327
O -0.623452 0.770627 -0.582816
N 2.193828 1.049668 -0.003343
N -0.355842 1.239464 1.694161
C 3.435633 0.372044 -0.426715
C 3.156337 -1.048868 -0.974434
C 2.536379 -1.974965 0.061283
C 4.136222 1.273783 -1.484756
C 2.089436 1.718912 1.197923
C 3.292581 -2.428361 1.173824
C 1.189692 -2.402058 -0.057692
C 4.811878 2.528367 -0.955873
C 0.674954 2.270684 1.499397
C 2.718694 -3.281583 2.141542
C 0.609818 -3.255759 0.909036
C 1.372594 -3.698559 2.013167
C -2.707129 -0.995762 0.002435
C -3.916098 -0.216170 -0.464572
C -0.949974 0.603329 0.634150
C -5.173693 -0.399232 0.164684
C -3.805904 0.705994 -1.537821
C -6.304309 0.329927 -0.265856
C -4.935957 1.434846 -1.969367
C -6.186913 1.248750 -1.334954
H 4.080594 0.334170 0.472747
H 2.511184 -0.965692 -1.867747
H 4.120843 -1.455354 -1.333676
H 1.337384 0.938452 -0.572681
H 4.339097 -2.115743 1.281635
H 0.596013 -2.064208 -0.916318
H 5.842433 2.264134 -0.642926
H 4.881397 3.293066 -1.745890
H 4.303129 2.924044 -0.061377
H 0.753517 2.867574 2.420651
H 0.359952 2.931984 0.670675
H 3.319149 -3.623765 2.992115
H -0.432373 -3.577857 0.798481
H 0.927104 -4.362661 2.762376
H -0.627550 0.959588 2.636951
H -2.003715 -1.194853 -0.824015
H -2.989659 -1.932324 0.508106
H -5.265576 -1.111631 0.993927
H -2.831049 0.854859 -2.015421
H -7.272188 0.180665 0.225444
H -4.842979 2.144077 -2.799268
H -7.063694 1.812992 -1.672310


