%chk=000297077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297077

0 1
O -3.401278 1.203181 0.094408
O 3.344168 2.308490 0.016915
O 3.760995 -2.460091 0.809681
O -3.657241 -1.695808 0.405072
O 6.992548 -0.086270 -1.491603
N 0.223500 0.416289 0.607229
N 5.103232 1.057327 -0.778181
N 5.328342 -1.251329 -0.369829
C 3.153754 -0.139498 0.262501
C 2.048850 -0.469225 -0.824309
C 2.448905 -0.018264 1.653170
C 0.841164 0.479878 -0.742185
C 1.186451 0.864346 1.650446
C -1.066046 1.145421 0.678470
C 3.849488 1.167630 -0.140866
C 4.089417 -1.366993 0.287198
C -2.223264 0.297903 0.128031
C -2.541974 -0.924098 0.996217
C 5.889979 -0.094350 -0.930201
C -4.629947 0.529496 -0.109177
C -4.750646 -0.881874 0.026720
C -5.755114 1.302543 -0.460696
C -5.988453 -1.509104 -0.221521
C -6.996666 0.673160 -0.695680
C -7.110695 -0.734566 -0.586497
H 1.706409 -1.500775 -0.623402
H 2.488827 -0.438680 -1.839286
H 3.163976 0.372175 2.401262
H 2.173025 -1.045249 1.950365
H 1.143308 1.522348 -1.004086
H 0.099932 0.152470 -1.493858
H 0.696127 0.759516 2.636350
H 1.467711 1.932608 1.517266
H -1.283009 1.383794 1.736525
H -1.047769 2.114957 0.126965
H -2.023034 -0.040320 -0.909174
H 5.521583 1.929251 -1.120693
H 5.906764 -2.096895 -0.420203
H -1.682658 -1.609287 1.035554
H -2.822017 -0.601734 2.019454
H -5.635349 2.386817 -0.552332
H -6.051712 -2.596598 -0.114142
H -7.867296 1.278303 -0.968814
H -8.069886 -1.227090 -0.776664


%chk=000297077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297077

0 1
O -3.390976 1.200848 0.081587
O 3.412093 2.322296 0.162144
O 3.819963 -2.427722 0.927913
O -3.647297 -1.696784 0.404780
O 6.858351 -0.135730 -1.733916
N 0.229505 0.423469 0.632767
N 5.045459 1.044612 -0.843943
N 5.273244 -1.267927 -0.439109
C 3.159555 -0.131263 0.318256
C 2.065980 -0.457971 -0.783249
C 2.447467 -0.011574 1.700137
C 0.862732 0.497350 -0.707915
C 1.180728 0.865952 1.689433
C -1.062761 1.148632 0.694655
C 3.860649 1.173061 -0.087463
C 4.098643 -1.356595 0.332709
C -2.212478 0.297180 0.134710
C -2.540356 -0.920571 1.005429
C 5.798008 -0.122670 -1.063275
C -4.617133 0.524929 -0.129646
C -4.737971 -0.885854 0.012020
C -5.739660 1.295314 -0.495196
C -5.972872 -1.515386 -0.244643
C -6.978441 0.663702 -0.738626
C -7.092314 -0.743592 -0.623789
H 1.713791 -1.487476 -0.587972
H 2.516453 -0.427788 -1.793416
H 3.155769 0.386454 2.450363
H 2.177193 -1.038427 2.002284
H 1.174097 1.541407 -0.956038
H 0.128751 0.183361 -1.472229
H 0.679806 0.753462 2.668969
H 1.460440 1.935689 1.565664
H -1.288214 1.386198 1.751062
H -1.043698 2.118434 0.143778
H -1.998621 -0.046473 -0.898039
H 5.454474 1.911284 -1.209567
H 5.840684 -2.118282 -0.520068
H -1.680671 -1.604368 1.058731
H -2.833367 -0.593183 2.023432
H -5.620012 2.379257 -0.590802
H -6.036252 -2.602390 -0.132507
H -7.847037 1.266781 -1.022583
H -8.049303 -1.237841 -0.820434


