%chk=000257715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257715

0 1
O -2.539638 -2.735061 0.000345
O 2.539659 -2.735034 -0.001293
O -4.676356 1.339194 -0.003719
O 4.676333 1.339242 0.003492
N -2.374133 1.379428 -0.001583
N 2.374109 1.379454 0.000885
N -3.604591 -0.716718 -0.002501
N 3.604589 -0.716680 0.001518
N -0.000012 1.410790 -0.000393
N 0.000003 -1.439423 -0.000620
C -1.170210 0.694507 -0.000812
C 1.170194 0.694520 -0.000128
C -1.156507 -0.752317 -0.000627
C 1.156506 -0.752304 -0.000522
C -2.410992 -1.538729 -0.000389
C 2.410999 -1.538703 -0.000799
C -3.651229 0.692062 -0.002306
C 3.651212 0.692101 0.001535
C -2.389091 2.867479 -0.001864
C 2.389052 2.867505 0.001585
C -4.930762 -1.400198 -0.002307
C 4.930769 -1.400143 0.001632
H -1.871138 3.256237 -0.896776
H -1.873458 3.256551 0.894241
H -3.432899 3.238748 -0.003260
H 1.873755 3.256813 -0.894610
H 3.432854 3.238785 0.003476
H 1.870756 3.256017 0.896406
H -4.789918 -2.498797 -0.018557
H -5.516486 -1.105840 -0.890122
H -5.503286 -1.131114 0.901909
H 5.515959 -1.106434 0.890011
H 5.503826 -1.130383 -0.902046
H 4.789929 -2.498755 0.016998


%chk=000257715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257715

0 1
O -2.552657 -2.790304 -0.000976
O 2.552677 -2.790277 -0.000027
O -4.696333 1.371972 -0.001386
O 4.696309 1.372022 0.000863
N -2.350006 1.363542 -0.001288
N 2.349982 1.363567 0.000805
N -3.610345 -0.693406 -0.002484
N 3.610344 -0.693367 0.001693
N -0.000012 1.361876 -0.000259
N 0.000003 -1.483312 -0.000422
C -1.161094 0.650172 -0.000867
C 1.161078 0.650184 0.000271
C -1.164700 -0.788935 -0.001010
C 1.164700 -0.788923 0.000252
C -2.446093 -1.539540 -0.001857
C 2.446101 -1.539514 0.001013
C -3.621317 0.714429 -0.001733
C 3.621300 0.714468 0.001187
C -2.325370 2.844914 -0.000819
C 2.325330 2.844939 0.000514
C -4.943709 -1.345087 -0.003079
C 4.943715 -1.345032 0.002131
H -1.796763 3.213335 -0.894524
H -1.797914 3.212839 0.893782
H -3.368522 3.190034 -0.001352
H 1.798021 3.212973 -0.894130
H 3.368479 3.190070 0.001253
H 1.796569 3.213239 0.894176
H -4.777672 -2.431281 -0.015657
H -5.515799 -1.029806 -0.890342
H -5.507353 -1.051041 0.897018
H 5.515623 -1.030380 0.889740
H 5.507538 -1.050334 -0.897635
H 4.777688 -2.431236 0.013950


