%chk=000241337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241337

0 1
O 9.489440 -0.142400 -0.002238
O -9.489322 -0.142231 -0.002587
O 8.370287 -1.993293 -0.023836
O -8.370203 -1.993068 -0.029980
O 0.000071 1.297083 0.015362
N 8.446721 -0.774891 -0.009763
N -8.446614 -0.774711 -0.012311
N 2.371577 -0.060319 -0.003099
N -2.371460 -0.060282 -0.002560
N 1.180682 -0.729862 -0.011911
N -1.180578 -0.729843 -0.011711
C 4.760421 0.014722 -0.002320
C -4.760300 0.014802 -0.001801
C 7.178263 -0.009543 -0.001214
C -7.178142 -0.009411 -0.001862
C 5.963184 -0.707419 -0.010352
C -5.963077 -0.707297 -0.011679
C 4.795675 1.423447 0.014740
C -4.795530 1.423493 0.017741
C 7.220312 1.392188 0.015780
C -7.220168 1.392291 0.017570
C 6.017243 2.101042 0.023661
C -6.017088 2.101101 0.027259
C 3.489282 -0.735772 -0.012137
C -3.489175 -0.735705 -0.012379
C 0.000059 0.098664 -0.000401
H 5.971869 -1.802672 -0.023559
H -5.971778 -1.802523 -0.026884
H 3.855347 1.988519 0.021043
H -3.855194 1.988533 0.025495
H 8.184887 1.911173 0.022616
H -8.184736 1.911282 0.024882
H 6.031729 3.192663 0.036896
H -6.031553 3.192698 0.042387
H 3.588604 -1.831326 -0.026526
H -3.588517 -1.831241 -0.027966
H 1.132326 -1.752867 -0.024971
H -1.132241 -1.752824 -0.026584


%chk=000241337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241337

0 1
O 9.584857 -0.543054 -0.007704
O -9.584734 -0.542858 -0.008003
O 8.210827 -2.362380 -0.029951
O -8.210730 -2.362191 -0.032829
O 0.000069 1.687298 0.016847
N 8.414880 -1.086883 -0.014349
N -8.414776 -1.086711 -0.015812
N 2.397349 0.232674 0.000009
N -2.397230 0.232706 0.000169
N 1.164801 -0.372285 -0.007174
N -1.164691 -0.372261 -0.007839
C 4.807541 0.069671 -0.001226
C -4.807424 0.069747 -0.001286
C 7.228907 -0.191776 -0.003824
C -7.228792 -0.191648 -0.004117
C 5.945598 -0.774048 -0.011241
C -5.945496 -0.773936 -0.012419
C 4.989993 1.484683 0.016057
C -4.989849 1.484737 0.017983
C 7.426412 1.205005 0.013287
C -7.426273 1.205110 0.014965
C 6.284653 2.038468 0.023156
C -6.284497 2.038537 0.025933
C 3.467823 -0.533241 -0.008555
C -3.467717 -0.533178 -0.009516
C 0.000061 0.443887 0.002122
H 5.856069 -1.864926 -0.024471
H -5.855991 -1.864797 -0.027169
H 4.101138 2.123294 0.023665
H -4.100981 2.123320 0.026423
H 8.442518 1.607388 0.018477
H -8.442372 1.607503 0.020771
H 6.410549 3.125608 0.036456
H -6.410372 3.125659 0.040755
H 3.415328 -1.640864 -0.021418
H -3.415240 -1.640783 -0.023995
H 1.084535 -1.401658 -0.018566
H -1.084439 -1.401617 -0.020806


