%chk=000252029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252029

0 1
O 1.496760 -0.498329 0.000775
O 2.785610 -2.389713 0.014305
N 3.713015 -0.214989 -0.002207
C -5.868155 0.289770 -0.000093
C -7.232936 -0.412089 0.005104
C -4.716501 -0.724561 0.005863
C -8.384855 0.601966 -0.000939
C -3.352141 -0.022025 0.000652
C -9.749796 -0.099627 0.004222
C -2.201310 -1.037174 0.006696
C -10.901515 0.914332 -0.001719
C -0.840807 -0.330991 0.001405
C -12.267635 0.213841 0.003341
C 0.293411 -1.348164 0.007491
C -13.417806 1.218427 -0.002538
C 2.701741 -1.181319 0.005365
C 5.114916 -0.498871 -0.000645
C 6.023039 0.629192 -0.009375
C 7.417098 0.359578 -0.007918
C 5.594155 -1.794190 0.008785
C 5.587210 1.991316 -0.019318
C 7.886195 -0.991567 0.001930
C 8.341241 1.454544 -0.016409
C 6.993410 -2.033210 0.010012
C 6.493115 3.022590 -0.027329
C 7.891346 2.750168 -0.025853
H -5.786972 0.947022 -0.887354
H -5.786096 0.958388 0.878551
H -7.315243 -1.069216 0.892313
H -7.316072 -1.080683 -0.873419
H -4.800215 -1.393074 -0.872820
H -4.799331 -1.381698 0.893170
H -8.302651 1.270608 0.877595
H -8.303454 1.259181 -0.888123
H -3.271041 0.635375 -0.886812
H -3.270198 0.646843 0.879428
H -9.832587 -0.768115 -0.874356
H -9.831732 -0.756789 0.891386
H -2.284930 -1.693584 0.895327
H -2.285821 -1.705125 -0.873207
H -10.820513 1.583473 0.876317
H -10.821292 1.572251 -0.888266
H -0.745673 0.341512 0.878239
H -0.746538 0.329978 -0.884253
H -12.350255 -0.443234 0.891152
H -12.351039 -0.454477 -0.875965
H 0.326117 -1.985884 -0.891978
H 0.327423 -1.973613 0.915490
H -13.387254 1.872155 0.876506
H -14.388104 0.709462 0.000819
H -13.387693 1.861330 -0.889545
H 3.425285 0.771386 -0.009412
H 4.913369 -2.652733 0.015426
H 4.518333 2.209149 -0.020518
H 8.958805 -1.173378 0.002860
H 9.407860 1.232958 -0.015181
H 7.339490 -3.067647 0.017557
H 6.160108 4.059044 -0.034894
H 8.589309 3.586430 -0.032334


%chk=000252029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252029

0 1
O 1.604981 -0.335331 0.002548
O 2.803255 -2.363364 0.016233
N 3.858944 -0.230900 -0.001035
C -5.956835 0.368553 0.000304
C -7.318500 -0.362247 0.003892
C -4.749262 -0.595407 0.006067
C -8.531155 0.595407 -0.000860
C -3.384042 0.128357 0.001614
C -9.890272 -0.140437 0.002314
C -2.184976 -0.846080 0.008315
C -11.106049 0.813353 -0.001616
C -0.817645 -0.122491 0.002692
C -12.463756 0.073965 0.001576
C 0.339465 -1.120961 0.009812
C -13.673644 1.033219 -0.001985
C 2.783967 -1.107552 0.006527
C 5.243115 -0.547018 -0.000457
C 6.189848 0.553255 -0.009580
C 7.606409 0.240196 -0.009410
C 5.698383 -1.875500 0.008493
C 5.803515 1.936157 -0.018838
C 8.037421 -1.126483 -0.000209
C 8.559636 1.312250 -0.018485
C 7.095895 -2.155044 0.008567
C 6.756445 2.958568 -0.027553
C 8.150875 2.646064 -0.027424
H -5.896903 1.027297 -0.891398
H -5.897484 1.037145 0.884677
H -7.377026 -1.022025 0.895018
H -7.376961 -1.030867 -0.880618
H -4.811497 -1.264495 -0.877753
H -4.811455 -1.253728 0.897943
H -8.474499 1.263710 0.883976
H -8.474146 1.255408 -0.891891
H -3.319259 0.784981 -0.890942
H -3.319644 0.796748 0.885412
H -9.946473 -0.808647 -0.882722
H -9.946377 -0.801105 0.893008
H -2.253827 -1.501872 0.901231
H -2.254267 -1.514676 -0.875019
H -11.052405 1.481616 0.883519
H -11.052526 1.474207 -0.892312
H -0.736857 0.537510 0.887882
H -0.737195 0.524146 -0.892340
H -12.515859 -0.586348 0.891472
H -12.516193 -0.593462 -0.882973
H 0.327539 -1.777113 -0.880494
H 0.328962 -1.762880 0.910456
H -13.660336 1.690547 0.888071
H -14.631111 0.480285 0.000580
H -13.660929 1.683269 -0.897385
H 3.589304 0.753015 -0.008112
H 4.971965 -2.690133 0.015348
H 4.746994 2.231045 -0.019269
H 9.110997 -1.345790 -0.000181
H 9.626669 1.059628 -0.018236
H 7.421261 -3.200914 0.015685
H 6.433454 4.005188 -0.034527
H 8.890265 3.453979 -0.034310


