%chk=000277386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277386

0 1
O 1.442375 1.201496 0.726566
O 1.719179 -1.709429 0.731969
O 4.803522 0.101789 -0.198408
O 1.759622 2.683463 -0.959560
O 1.235739 -1.514848 -1.471234
N -2.592502 1.359865 0.667920
N -2.891862 -1.926354 -0.479465
C 3.394135 -0.050934 -0.029555
C 2.872996 1.050888 0.909154
C 3.125129 -1.489189 0.452572
C 0.994930 2.039136 -0.285484
C 0.840970 -1.669334 -0.338140
C -0.478719 1.969680 -0.346512
C -0.548451 -1.823958 0.130193
C -1.141073 2.423698 -1.498644
C -0.879004 -1.933714 1.489906
C -1.241602 1.448357 0.720439
C -1.587086 -1.832368 -0.828803
C -2.532537 2.331619 -1.556946
C -2.222350 -2.035824 1.853168
C -3.222877 1.789951 -0.459544
C -3.199883 -2.018435 0.843570
H 3.000297 0.097728 -1.071132
H 2.938879 0.793328 1.980295
H 3.384644 2.012160 0.700432
H 3.461664 -2.220808 -0.307032
H 3.580997 -1.716075 1.432034
H 5.280949 0.024654 0.652682
H -0.565661 2.838040 -2.332544
H -0.086970 -1.933194 2.244419
H -0.753987 1.088856 1.638716
H -1.361639 -1.758214 -1.903767
H -3.075424 2.668399 -2.438540
H -2.512807 -2.113051 2.899075
H -4.316068 1.687538 -0.465775
H -4.269525 -2.077717 1.082976


%chk=000277386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277386

0 1
O 1.420809 1.237970 0.673330
O 1.743856 -1.706769 0.849021
O 4.928621 0.089130 -0.127044
O 1.726335 2.609274 -1.196416
O 1.256124 -1.849808 -1.427578
N -2.706393 1.601357 0.586120
N -2.861673 -2.432341 -0.465571
C 3.462536 -0.052540 -0.036753
C 2.896014 1.110716 0.805947
C 3.168050 -1.471642 0.500328
C 0.960687 2.033764 -0.387537
C 0.869199 -1.875106 -0.234136
C -0.527625 2.104205 -0.414661
C -0.534541 -2.076764 0.215500
C -1.156841 2.768833 -1.498062
C -0.912851 -2.066767 1.582143
C -1.343993 1.541399 0.602149
C -1.543111 -2.266307 -0.767009
C -2.563905 2.835086 -1.527954
C -2.273559 -2.236801 1.906717
C -3.294048 2.237901 -0.472473
C -3.207295 -2.411278 0.857854
H 3.118571 0.045883 -1.077217
H 3.059814 0.956769 1.887081
H 3.376392 2.043715 0.461921
H 3.491295 -2.213060 -0.250670
H 3.694871 -1.642543 1.456721
H 5.326548 -0.001204 0.778616
H -0.537577 3.211066 -2.285067
H -0.152240 -1.922544 2.354067
H -0.888963 1.032942 1.456594
H -1.272353 -2.279654 -1.828261
H -3.089728 3.333218 -2.347800
H -2.612815 -2.226901 2.946692
H -4.389569 2.262155 -0.463416
H -4.274642 -2.536156 1.071822


