%chk=000245907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245907

0 1
O -2.057890 -1.607627 -1.668798
O -0.122535 0.805889 1.253997
N -2.489618 -0.497182 0.315456
N 1.216613 1.024719 -0.619379
C -0.185274 -0.943950 -0.359608
C 2.044818 -2.082333 -0.340062
C 0.596411 -2.011957 -0.584084
C -1.657323 -1.051035 -0.662361
C 0.292924 0.361573 0.194365
C -3.922384 -0.467388 0.278111
C 1.836777 2.288551 -0.338612
C 2.874774 -2.646201 -1.325237
C 2.603218 -1.623809 0.863810
C -4.576289 0.169720 1.354739
C 2.771172 2.767529 -1.281192
C -4.665328 -1.042449 -0.766073
C 1.539597 3.034560 0.813345
C 4.251675 -2.730293 -1.111427
C 3.981499 -1.720069 1.074225
C 4.806537 -2.268500 0.087767
C -5.969451 0.221435 1.372493
C 3.397657 3.993405 -1.057648
C -6.059596 -0.977757 -0.726464
C 2.179756 4.259078 1.015630
C -6.716276 -0.350233 0.336078
C 3.106760 4.742703 0.087783
H 0.149567 -2.934805 -0.992317
H -2.048808 -0.037377 1.133985
H 1.512387 0.565095 -1.487226
H 2.445523 -3.013596 -2.257248
H 1.963042 -1.198986 1.639425
H -4.006231 0.619822 2.164453
H 3.005967 2.196098 -2.175572
H -4.160279 -1.534825 -1.603237
H 0.813954 2.665368 1.545268
H 4.895016 -3.160637 -1.878350
H 4.411948 -1.363500 2.010130
H 5.881236 -2.338781 0.252952
H -6.478562 0.712429 2.201461
H 4.119108 4.368760 -1.783243
H -6.637788 -1.423169 -1.536181
H 1.949602 4.840918 1.908646
H -7.802130 -0.305270 0.357677
H 3.599224 5.697879 0.254119


%chk=000245907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245907

0 1
O -2.044126 -2.132049 -1.322183
O -0.518701 1.054275 1.177047
N -2.587879 -0.404597 0.183951
N 1.215437 1.100872 -0.398641
C -0.227910 -0.862466 -0.311741
C 2.108947 -1.986382 -0.500701
C 0.650938 -1.857223 -0.674591
C -1.704656 -1.188083 -0.537364
C 0.149358 0.487747 0.238433
C -4.006176 -0.467334 0.200246
C 1.846119 2.345130 -0.107485
C 2.813801 -2.835433 -1.404962
C 2.842352 -1.374379 0.560177
C -4.679436 0.441882 1.063763
C 2.982878 2.686488 -0.890991
C -4.762160 -1.375228 -0.591555
C 1.392953 3.233516 0.904727
C 4.205876 -3.026366 -1.288564
C 4.231134 -1.578856 0.684068
C 4.921703 -2.395442 -0.244205
C -6.086025 0.445134 1.135335
C 3.660115 3.900969 -0.666570
C -6.171116 -1.357130 -0.508154
C 2.084942 4.445532 1.116509
C -6.843194 -0.455429 0.348553
C 3.214888 4.789863 0.340198
H 0.156195 -2.711356 -1.163351
H -2.133507 0.274951 0.823862
H 1.647038 0.558174 -1.151883
H 2.257988 -3.338185 -2.205534
H 2.319794 -0.768284 1.306985
H -4.095828 1.142768 1.673572
H 3.335514 1.999164 -1.670889
H -4.240150 -2.073382 -1.248030
H 0.518887 2.968299 1.500982
H 4.728736 -3.674133 -2.000356
H 4.774721 -1.110541 1.511628
H 6.001315 -2.551356 -0.143331
H -6.590840 1.150602 1.804668
H 4.534131 4.152446 -1.277069
H -6.747613 -2.059554 -1.120887
H 1.731395 5.127801 1.897546
H -7.937070 -0.453382 0.404223
H 3.740233 5.734760 0.514160


