%chk=000258037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258037

0 1
O -2.854532 2.345196 -0.374979
O 3.928220 1.841292 1.866048
N -4.198848 0.488037 -0.655046
N 4.279625 1.122027 -0.300455
C 0.101269 -0.989252 1.417098
C -1.281041 -1.285805 0.899504
C 1.128043 -0.816678 0.327979
C -2.057353 -0.248415 0.367526
C 2.190853 0.072761 0.538867
C -1.792155 -2.591512 0.960102
C 1.053494 -1.553542 -0.863457
C -3.350790 -0.523285 -0.100271
C 3.172405 0.225276 -0.450809
C -3.081411 -2.854349 0.490092
C 2.035300 -1.391209 -1.843741
C -3.870964 -1.835140 -0.040688
C 3.098927 -0.509344 -1.654112
C -3.899842 1.867376 -0.761552
C 4.588727 1.885426 0.849076
C -5.002160 2.671906 -1.396126
C 5.811913 2.747260 0.686754
H 0.062879 -0.077611 2.058133
H 0.449990 -1.796550 2.100420
H -1.651134 0.768482 0.314008
H 2.254346 0.647866 1.468650
H -1.189050 -3.397375 1.369440
H 0.228336 -2.243593 -1.028549
H -3.476899 -3.869053 0.538816
H 1.970541 -1.961545 -2.770505
H -4.870903 -2.057412 -0.398984
H 3.852407 -0.396738 -2.426558
H -5.105564 0.161496 -0.994454
H 4.891412 1.202323 -1.114793
H -5.218362 2.353609 -2.424099
H -4.702432 3.732976 -1.447698
H -5.936492 2.634633 -0.821376
H 6.718370 2.161503 0.487880
H 5.993830 3.310172 1.618513
H 5.699943 3.489495 -0.114355


%chk=000258037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258037

0 1
O -2.513154 2.278847 -0.723551
O 3.810459 1.949617 2.004904
N -4.057014 0.507161 -0.707404
N 4.159442 1.267322 -0.217217
C 0.144529 -1.308262 1.424743
C -1.297228 -1.478956 0.953296
C 1.150136 -0.959029 0.324611
C -1.969890 -0.394340 0.336359
C 2.156275 0.001482 0.582938
C -1.974872 -2.707727 1.142870
C 1.110837 -1.615993 -0.931026
C -3.315075 -0.540856 -0.085201
C 3.124210 0.304356 -0.409767
C -3.316420 -2.853473 0.719449
C 2.074731 -1.313303 -1.916807
C -3.988376 -1.779169 0.108377
C 3.080812 -0.359936 -1.664300
C -3.660694 1.816362 -0.991113
C 4.457211 2.022996 0.918268
C -4.736633 2.674524 -1.657246
C 5.648594 2.967569 0.757619
H 0.189562 -0.520726 2.201385
H 0.468955 -2.246456 1.917890
H -1.462181 0.559753 0.177288
H 2.202169 0.522502 1.542084
H -1.456422 -3.547104 1.620961
H 0.323383 -2.349247 -1.137116
H -3.838779 -3.805094 0.867116
H 2.043400 -1.819594 -2.888018
H -5.030619 -1.895703 -0.217035
H 3.825749 -0.127125 -2.436725
H -5.013040 0.260805 -0.972435
H 4.763057 1.418991 -1.028132
H -5.670964 2.131509 -1.884084
H -4.330194 3.090740 -2.594689
H -4.973647 3.527227 -0.997352
H 6.117054 2.937123 -0.241816
H 6.410317 2.714399 1.515146
H 5.315221 3.999514 0.962026


