%chk=000205958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205958

0 1
O -1.211092 0.492985 -1.042931
O -4.127709 -0.550639 0.331824
N 0.520129 -1.462574 0.052221
N 3.121389 -0.530530 1.368074
N 4.021523 -0.295538 -2.147586
N 4.846794 -1.309922 -1.769859
C 0.771973 -1.557377 1.521153
C 2.280248 -1.674690 1.825472
C -0.873522 -1.828104 -0.330372
C 3.567945 -0.643522 0.017276
C -1.740176 -0.554878 -0.209270
C 3.208921 0.145174 -1.099411
C 4.596550 -1.539490 -0.441802
C -3.170681 -0.756252 -0.733450
C 2.211464 1.226400 -1.200191
C 5.319032 -2.566001 0.337970
C 4.057760 0.211061 -3.525793
C -4.433236 0.743939 0.715757
C -3.795007 1.898942 0.251928
C -5.476692 0.791460 1.661341
C -4.224687 3.134068 0.747411
C -5.879927 2.036004 2.137515
C -5.259547 3.208802 1.683205
H 0.358373 -0.633370 1.985495
H 0.239559 -2.408055 2.001194
H 2.416368 -1.732806 2.931326
H 2.687122 -2.623912 1.414137
H -0.873758 -2.178988 -1.386054
H -1.315911 -2.644043 0.279650
H -1.754185 -0.175795 0.839411
H 1.191445 -2.046597 -0.460975
H 2.614228 0.353496 1.501154
H -3.382261 -0.082418 -1.586246
H -3.399573 -1.799161 -1.019089
H 2.062202 1.589386 -2.225434
H 2.501293 2.093499 -0.585599
H 1.223825 0.875636 -0.829266
H 4.805696 -3.536718 0.298532
H 6.338772 -2.722445 -0.047759
H 5.403751 -2.264731 1.394292
H 4.329025 1.281569 -3.540587
H 4.816049 -0.340001 -4.118225
H 3.078607 0.078022 -4.018372
H -0.212675 0.509831 -0.964093
H -2.975677 1.847759 -0.467118
H -5.943826 -0.130522 1.995717
H -3.741811 4.046279 0.397245
H -6.685844 2.098292 2.868372
H -5.585044 4.174275 2.060508


%chk=000205958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205958

0 1
O -0.671312 -0.248092 -0.006034
O -3.932553 -0.473887 0.717646
N 0.650330 -2.405243 0.581344
N 3.108459 -0.695840 1.390381
N 3.099484 0.497526 -2.024316
N 3.830763 -0.667904 -2.223425
C 1.197391 -2.314638 1.952637
C 2.716755 -1.996085 1.950719
C -0.805572 -2.629388 0.464354
C 3.204352 -0.464772 -0.005099
C -1.522313 -1.247584 0.639675
C 2.687854 0.653023 -0.702987
C 3.910602 -1.249588 -0.982079
C -2.926536 -1.282385 0.011148
C 1.905311 1.834530 -0.205366
C 4.705392 -2.514356 -0.805021
C 2.826380 1.368370 -3.164379
C -4.067010 0.897731 0.413584
C -3.103308 1.661816 -0.288774
C -5.265172 1.493637 0.879845
C -3.367737 3.030152 -0.533620
C -5.505792 2.860451 0.632980
C -4.561039 3.637306 -0.081736
H 0.657495 -1.510714 2.490373
H 1.033607 -3.257555 2.530324
H 3.069560 -2.049949 2.999121
H 3.251814 -2.792270 1.401778
H -1.008925 -3.015225 -0.552791
H -1.207238 -3.360663 1.199720
H -1.635205 -1.014799 1.720384
H 1.218781 -2.991567 -0.039265
H 2.821249 0.114357 1.943891
H -2.855637 -0.988108 -1.054444
H -3.340033 -2.305340 0.082687
H 1.298632 2.285959 -1.009728
H 2.556805 2.630659 0.207201
H 1.194722 1.528100 0.583718
H 4.069200 -3.412534 -0.668928
H 5.325165 -2.683367 -1.701526
H 5.372331 -2.444348 0.074681
H 3.177285 2.398488 -2.973585
H 3.371997 0.954131 -4.024921
H 1.746956 1.398424 -3.403500
H 0.240522 -0.709499 -0.020602
H -2.150282 1.214356 -0.589007
H -5.986900 0.872923 1.420247
H -2.622914 3.625838 -1.074650
H -6.434649 3.317605 0.992968
H -4.751868 4.698116 -0.276921


