%chk=000259367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259367

0 1
O 1.408850 -1.441106 0.982730
O 1.554691 -2.263639 -1.121302
O -4.549271 0.233903 0.610969
O 4.010069 1.555974 0.069036
N 1.813091 1.048733 0.394715
N -3.140133 2.642622 0.750138
N -3.351358 -2.090731 -0.384353
C 0.623534 0.555944 -1.733877
C 1.759987 0.154351 -0.771380
C -0.740857 0.469997 -1.098854
C -1.414678 -0.755840 -1.094286
C -1.306307 1.613769 -0.523066
C 1.571429 -1.317665 -0.368865
C -2.575514 1.535757 0.084982
C -2.683141 -0.856689 -0.488715
C -3.254524 0.296804 0.096336
C 3.017026 1.665371 0.767774
C 1.213222 -2.786435 1.532538
C 2.949249 2.467455 2.034251
C 2.535832 -3.520320 1.577923
H 0.818679 1.585042 -2.105791
H 0.670637 -0.094495 -2.636514
H 2.751994 0.215662 -1.322249
H 0.990790 1.049506 0.996414
H -0.955832 -1.633142 -1.546633
H -0.769359 2.556327 -0.540623
H 0.811709 -2.539904 2.532167
H 0.454872 -3.305369 0.919771
H -2.840719 3.554318 0.434949
H -4.144326 2.593152 0.893672
H -3.096286 -2.799600 -1.057663
H -4.353437 -2.033069 -0.235618
H 3.906689 2.989428 2.198765
H 2.162620 3.232815 2.010366
H 2.773943 1.832335 2.913818
H -4.496169 -0.018823 1.568010
H 2.453370 -4.465730 2.126262
H 2.894022 -3.756486 0.563654
H 3.316609 -2.918323 2.060949


%chk=000259367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259367

0 1
O 1.625823 -1.610891 1.048820
O 1.516943 -2.338638 -1.162425
O -4.673653 0.560237 0.623911
O 4.012944 1.307324 0.401991
N 1.708558 0.991995 0.423268
N -3.186460 2.898377 0.441609
N -3.662478 -1.844442 -0.399070
C 0.593982 0.436178 -1.751921
C 1.706763 0.078303 -0.713824
C -0.805100 0.467621 -1.147972
C -1.568328 -0.721504 -1.072875
C -1.328365 1.687432 -0.651245
C 1.603535 -1.409758 -0.323625
C -2.620067 1.724099 -0.050578
C -2.861971 -0.703369 -0.480482
C -3.352056 0.514190 0.058233
C 2.879488 1.532324 0.929509
C 1.602213 -3.035451 1.511932
C 2.713757 2.417854 2.160460
C 3.019602 -3.613006 1.539054
H 0.850904 1.423059 -2.176994
H 0.653033 -0.311743 -2.561862
H 2.697504 0.188572 -1.199212
H 0.815671 1.161735 0.891590
H -1.171396 -1.653053 -1.492124
H -0.754741 2.615610 -0.762461
H 1.158559 -2.970114 2.518197
H 0.943718 -3.611369 0.837940
H -2.723860 3.791961 0.308242
H -4.162369 2.878847 0.728750
H -3.354572 -2.711947 -0.828472
H -4.650927 -1.729211 -0.185145
H 3.215395 3.383702 1.980766
H 1.659215 2.601175 2.430317
H 3.220775 1.939369 3.016832
H -4.652741 0.213341 1.553572
H 2.999213 -4.631951 1.968652
H 3.435527 -3.676423 0.519799
H 3.686963 -2.988535 2.157243


