%chk=000247627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247627

0 1
O 3.452364 -2.502975 -0.001570
O 5.123457 1.802908 0.000350
N 0.630541 -1.227820 -0.001101
N 2.831734 1.602827 0.000146
N 4.286924 -0.356551 -0.000624
N 0.388151 1.063893 -0.000274
N -1.659853 -0.412335 -0.000758
C 1.917501 -0.668856 -0.000976
C 1.732563 0.746658 -0.000380
C 3.210078 -1.312342 -0.001242
C -0.269641 -0.166198 -0.000719
C 4.156660 1.064616 -0.000067
C 0.350634 -2.664510 -0.001807
C 2.633049 3.072395 0.000247
C 5.685685 -0.868837 -0.000625
C -2.507150 0.579205 -0.000534
C -3.957675 0.303640 -0.000465
C -4.845431 1.396520 0.000016
C -4.468790 -1.004990 -0.000877
C -6.223378 1.177467 0.000079
C -5.850193 -1.216961 -0.000813
C -6.727478 -0.128810 -0.000336
H -0.739300 -2.853882 -0.002435
H 0.800000 -3.146780 -0.893094
H 0.799038 -3.147444 0.889607
H 3.612398 3.588753 0.002681
H 2.063398 3.380188 0.895083
H 2.067489 3.380963 -0.896900
H 5.681983 -1.975321 -0.000426
H 6.225335 -0.512525 0.893805
H 6.225204 -0.512868 -0.895265
H -2.226573 1.650984 -0.000253
H -4.460579 2.416364 0.000337
H -3.782276 -1.854719 -0.001247
H -6.908332 2.024504 0.000454
H -6.242205 -2.233355 -0.001134
H -7.804228 -0.296009 -0.000284


%chk=000247627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247627

0 1
O 3.508189 -2.562408 -0.001534
O 5.119143 1.871799 -0.000248
N 0.664667 -1.277241 -0.000880
N 2.790322 1.579011 0.000119
N 4.287814 -0.318909 -0.000665
N 0.394124 1.006558 -0.000024
N -1.601293 -0.477787 -0.000599
C 1.941686 -0.710494 -0.000622
C 1.731114 0.686102 -0.000164
C 3.246297 -1.319308 -0.000820
C -0.245603 -0.215744 -0.000470
C 4.122161 1.095052 -0.000172
C 0.333735 -2.710158 -0.001380
C 2.542161 3.033034 0.000469
C 5.692144 -0.790080 -0.001123
C -2.466592 0.520337 -0.000214
C -3.912223 0.296053 -0.000402
C -4.786440 1.420520 -0.000007
C -4.469376 -1.016254 -0.000980
C -6.184682 1.239966 -0.000187
C -5.865089 -1.193105 -0.001157
C -6.727817 -0.066847 -0.000764
H -0.763233 -2.790717 -0.001797
H 0.757122 -3.197836 -0.893989
H 0.756420 -3.198311 0.891310
H 3.519425 3.536988 0.002316
H 1.963938 3.317612 0.895515
H 1.966974 3.318748 -0.896198
H 5.668233 -1.889475 -0.001122
H 6.217911 -0.414010 0.891656
H 6.217359 -0.414061 -0.894257
H -2.116745 1.569709 0.000219
H -4.361842 2.432270 0.000437
H -3.786029 -1.871245 -0.001279
H -6.849927 2.110107 0.000119
H -6.288594 -2.203518 -0.001605
H -7.814349 -0.208561 -0.000905


