%chk=000265024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265024

0 1
O 6.248791 3.353804 -1.854510
O 4.206944 2.095434 1.711960
O 5.809590 1.341958 -2.741630
O 9.055658 -2.221501 -1.118181
O 10.001373 -0.238229 -0.690715
O -8.448366 -1.065666 1.045914
N -0.498465 -2.319834 1.767596
N 4.869205 0.769771 -0.014501
N -5.795464 -0.847912 -0.054545
N -5.163176 1.609421 -1.325961
N -7.360731 2.402603 -0.869975
N -8.976076 1.034749 0.311875
N -9.511697 3.270832 -0.259765
C -2.523885 -1.424226 0.582568
C 6.061488 1.586850 -0.282950
C 7.381718 0.845534 -0.009789
C -1.524275 -2.584271 0.732683
C -3.562204 -1.733975 -0.502672
C 7.550385 -0.442948 -0.816525
C 0.551605 -1.416992 1.538007
C -4.578283 -0.630608 -0.598064
C 2.797283 0.228859 1.158675
C 3.970989 1.124070 1.014618
C 6.008650 2.011980 -1.755408
C 1.285392 -0.939694 2.656304
C 0.946687 -1.038398 0.232227
C 2.389816 -0.124216 2.459327
C 2.060850 -0.226586 0.054913
C -4.266423 0.611306 -1.236432
C -6.716927 0.142991 -0.131179
C -6.402492 1.376585 -0.771504
C 8.985795 -0.871887 -0.847789
C -8.087230 -0.072597 0.478059
C -8.635114 2.170484 -0.264850
H -1.983944 -0.485638 0.346328
H -3.039629 -1.237378 1.547234
H 6.022130 2.516399 0.372787
H 8.235124 1.535041 -0.209851
H 7.442281 0.619909 1.077523
H -1.023197 -2.798978 -0.239058
H -2.055504 -3.521410 1.021521
H -4.076436 -2.696826 -0.271628
H -3.073199 -1.885176 -1.486614
H 6.917462 -1.261075 -0.406155
H 7.196121 -0.313107 -1.871076
H -0.852776 -2.369652 2.723220
H 4.757502 -0.079183 -0.561151
H 0.987931 -1.213011 3.665573
H 0.388943 -1.387319 -0.632608
H 2.950876 0.258398 3.317334
H 2.351876 0.068226 -0.955778
H -3.277023 0.794285 -1.676923
H -7.080197 3.306535 -1.255218
H 6.236733 3.687439 -2.793988
H 9.990902 -2.555784 -1.172204
H -9.536519 3.865755 -1.077263
H -10.439871 3.075760 0.120816


%chk=000265024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265024

0 1
O 6.813628 3.317120 -1.955126
O 4.848408 1.112008 2.179852
O 5.034662 1.988151 -2.630765
O 8.984440 -1.923489 -1.353860
O 9.587489 -0.498235 0.376818
O -7.573271 -0.151600 2.155425
N -0.625613 -2.339846 1.856299
N 4.702437 0.962640 -0.123546
N -5.532627 -0.615679 0.169808
N -5.575890 1.077758 -2.124417
N -7.456444 2.188696 -1.235739
N -8.464062 1.594557 0.875640
N -9.347115 3.336752 -0.398214
C -2.576215 -1.477834 0.506860
C 5.869516 1.828972 -0.306312
C 7.227146 1.126561 0.006629
C -1.624921 -2.657902 0.831289
C -3.555544 -1.825888 -0.646522
C 7.481365 -0.107417 -0.875700
C 0.533006 -1.599683 1.637407
C -4.607440 -0.754461 -0.829063
C 2.956121 -0.103307 1.255166
C 4.218337 0.690255 1.151304
C 5.829290 2.359124 -1.734284
C 1.373899 -1.258678 2.743899
C 0.931358 -1.168943 0.334344
C 2.549898 -0.525311 2.551733
C 2.121901 -0.441998 0.156586
C -4.643851 0.098440 -1.970044
C -6.478291 0.355734 0.042479
C -6.482956 1.195758 -1.114781
C 8.774847 -0.811484 -0.519199
C -7.528805 0.555257 1.115532
C -8.412277 2.341212 -0.222055
H -1.979522 -0.584208 0.241855
H -3.167521 -1.221625 1.405355
H 5.794773 2.684997 0.393375
H 8.040899 1.862668 -0.113289
H 7.197564 0.836917 1.070181
H -1.110684 -2.997614 -0.089653
H -2.222250 -3.517457 1.189680
H -4.066855 -2.778142 -0.404602
H -2.997849 -1.975514 -1.590841
H 6.656089 -0.838496 -0.775382
H 7.528422 0.149484 -1.952509
H -0.865943 -2.549518 2.825066
H 4.199915 0.684997 -0.969559
H 1.086669 -1.575885 3.754394
H 0.310744 -1.395994 -0.537652
H 3.188010 -0.251984 3.398550
H 2.370094 -0.123981 -0.863820
H -3.910112 -0.006164 -2.775875
H -7.425453 2.770244 -2.077969
H 6.766440 3.637039 -2.896660
H 9.836601 -2.368064 -1.093230
H -9.375803 3.950194 -1.208312
H -10.035658 3.441767 0.344056


