%chk=000245375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245375

0 1
O 1.578273 0.332406 0.493725
O -0.682629 -2.078062 -0.620909
O 3.310894 1.293507 -0.527911
N -1.257105 0.020935 0.013772
C 0.992933 -0.992483 0.704539
C 1.988709 -2.003350 0.082109
C -0.375088 -1.042270 -0.035752
C 3.065985 -1.166855 -0.607394
C 0.794769 -1.156045 2.199628
C -2.572266 -0.124835 -0.677740
C -0.969649 1.349969 0.611853
C 2.750722 0.266662 -0.264034
C -3.671357 -0.521116 0.322776
C -0.459250 2.348937 -0.442502
C -5.026120 -0.619919 -0.370564
C -0.368202 3.755195 0.139614
H 1.464702 -2.677980 -0.632148
H 2.417237 -2.668456 0.851692
H 3.063710 -1.306759 -1.707976
H 4.088517 -1.432545 -0.275944
H 0.318608 -2.116471 2.439500
H 1.751074 -1.107139 2.737871
H 0.162939 -0.356914 2.613948
H -2.481607 -0.907929 -1.470531
H -2.825439 0.828214 -1.188630
H -0.211537 1.245856 1.423586
H -1.900033 1.729681 1.090222
H -3.720847 0.209866 1.152207
H -3.412366 -1.493651 0.789564
H -1.115775 2.345868 -1.332839
H 0.543056 2.024437 -0.798284
H -5.016901 -1.370482 -1.170795
H -5.810050 -0.913240 0.337827
H -5.328999 0.334197 -0.816393
H 0.319519 3.793784 0.993820
H 0.014586 4.462053 -0.607290
H -1.341716 4.127735 0.475083


%chk=000245375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245375

0 1
O 1.716646 0.332896 0.616308
O -0.698806 -2.138510 -0.448557
O 3.306867 1.139577 -0.869284
N -1.164625 0.088070 0.005175
C 1.001148 -0.975601 0.866971
C 1.985045 -2.037498 0.300306
C -0.351768 -1.027252 0.079700
C 2.697419 -1.298349 -0.849691
C 0.762462 -1.113595 2.376831
C -2.458613 -0.077314 -0.711032
C -0.923476 1.425356 0.605898
C 2.666859 0.172463 -0.429425
C -3.575647 -0.631111 0.203893
C -0.460303 2.491236 -0.414438
C -4.915286 -0.761972 -0.551344
C -0.314238 3.876015 0.251726
H 1.432115 -2.927788 -0.030768
H 2.707151 -2.317062 1.087693
H 2.142165 -1.399077 -1.801357
H 3.735042 -1.618006 -1.032190
H 0.331683 -2.109233 2.584886
H 1.719132 -1.020402 2.919104
H 0.065104 -0.351738 2.763179
H -2.301454 -0.772162 -1.553971
H -2.750768 0.908426 -1.118429
H -0.168533 1.351559 1.401772
H -1.874853 1.751544 1.074238
H -3.700807 0.034583 1.081239
H -3.256797 -1.619393 0.582792
H -1.182565 2.551342 -1.252664
H 0.510379 2.178389 -0.837745
H -4.816005 -1.444420 -1.415911
H -5.705035 -1.166441 0.106821
H -5.262312 0.217781 -0.931527
H 0.438876 3.846661 1.060642
H 0.014955 4.632735 -0.482178
H -1.271861 4.221094 0.687037


