%chk=000251694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251694

0 1
O -2.285225 1.496357 0.518363
O 2.714657 -1.038323 0.875212
O 5.258842 0.423408 1.087907
O -0.291347 2.527581 0.806037
O 2.594347 -2.361673 -0.979389
N -1.723957 -0.352148 -0.710515
C 1.957886 0.688253 -0.678007
C 2.961535 0.128547 0.138739
C 0.696781 -0.032068 -0.909309
C -0.503884 0.371692 -0.472729
C 4.186272 0.800955 0.324497
C 2.188582 1.919360 -1.300555
C -2.703924 0.311811 -0.138346
C -4.133275 0.027781 -0.072464
C 4.403186 2.041685 -0.315097
C 3.408394 2.585909 -1.117611
C -0.852660 1.592663 0.333897
C -4.648564 -1.107389 -0.723018
C -4.989272 0.888132 0.638208
C -6.017373 -1.376197 -0.658248
C -6.355336 0.609180 0.696008
C -6.869110 -0.520892 0.049129
C 2.538551 -2.260372 0.216581
C 5.189677 -0.822808 1.824682
C 2.281469 -3.288278 1.258850
H 0.792861 -0.967017 -1.492545
H 1.416874 2.364437 -1.927270
H 5.355096 2.549714 -0.160746
H 3.574765 3.546071 -1.609126
H -3.977118 -1.770598 -1.274926
H -4.576500 1.768693 1.138721
H -6.421112 -2.254251 -1.161284
H -7.021858 1.273297 1.245371
H -7.937026 -0.734780 0.096439
H 5.186500 -1.663863 1.127071
H 4.308322 -0.834011 2.475580
H 6.119702 -0.785858 2.406022
H 3.020590 -4.103015 1.200836
H 1.286808 -3.745001 1.112400
H 2.303445 -2.876686 2.281335


%chk=000251694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251694

0 1
O -2.637318 1.874127 -0.721496
O 2.819973 -1.135340 1.084040
O 5.539728 0.052618 0.905155
O -0.682031 3.137182 -1.013108
O 2.704350 -2.098457 -1.057173
N -1.790882 -0.055914 0.238755
C 1.908896 0.986426 0.197359
C 3.045223 0.183925 0.567079
C 0.591114 0.383734 0.313801
C -0.686516 0.811151 -0.012533
C 4.360958 0.704945 0.531302
C 2.140463 2.332959 -0.216374
C -2.879414 0.572838 -0.175885
C -4.260319 0.107015 -0.145978
C 4.546072 2.056728 0.137479
C 3.447534 2.854757 -0.232376
C -1.197204 2.074395 -0.625805
C -4.549906 -1.182796 0.381211
C -5.314582 0.925720 -0.636733
C -5.879275 -1.643892 0.414786
C -6.642830 0.454944 -0.598764
C -6.929488 -0.827684 -0.074362
C 2.590751 -2.216739 0.173388
C 5.684676 -1.406755 0.761398
C 2.210291 -3.450528 0.954631
H 0.573092 -0.617042 0.762091
H 1.294260 2.955173 -0.515293
H 5.570132 2.442064 0.126216
H 3.613750 3.891128 -0.542456
H -3.724427 -1.797894 0.753316
H -5.080762 1.915679 -1.039877
H -6.101541 -2.636879 0.819997
H -7.454154 1.085880 -0.976988
H -7.963073 -1.190053 -0.046728
H 5.327126 -1.744770 -0.228256
H 5.154818 -1.940731 1.568272
H 6.767709 -1.583942 0.844819
H 2.177718 -4.321281 0.284611
H 1.216382 -3.307713 1.415677
H 2.926304 -3.624681 1.775500


