%chk=000203102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203102

0 1
O 1.998639 0.440328 -0.062909
O 3.906127 -1.664307 0.484524
O -0.188602 -2.108093 1.166486
O -1.804357 0.436139 -0.152843
O -2.850086 -1.420543 0.704684
N -3.770532 -0.185799 -1.061860
C 1.642881 -0.759758 0.694615
C 0.148250 -0.969432 0.367818
C 2.500130 -1.947143 0.249015
C -0.686897 0.258318 0.760276
C 3.365814 0.618532 -0.218867
C 4.296787 -0.414844 0.031806
C -6.126070 0.092238 -0.212652
C 3.792733 1.872677 -0.660609
C -5.127839 -0.786589 -0.976961
C 5.665683 -0.191423 -0.135387
C -6.544282 1.342290 -0.997099
C -2.844198 -0.480399 -0.071519
C 5.164792 2.086063 -0.834535
C 6.089252 1.070064 -0.567601
C -7.581859 2.161243 -0.233533
H 1.806075 -0.525596 1.770671
H -0.009870 -1.218995 -0.707650
H 2.375909 -2.185827 -0.821446
H 2.321961 -2.847321 0.870057
H -0.137113 1.210566 0.595653
H -1.066478 0.191921 1.795070
H -1.184129 -2.237597 1.184053
H -5.704755 0.383229 0.770643
H -7.023379 -0.514265 0.028150
H 3.064577 2.655552 -0.859268
H -5.470096 -0.966775 -2.021985
H -5.047512 -1.787536 -0.486027
H 6.373302 -0.992187 0.069463
H -6.953921 1.049645 -1.984396
H -5.659582 1.973516 -1.209649
H -3.698322 0.714366 -1.538777
H 5.513717 3.058373 -1.178789
H 7.153566 1.258299 -0.701134
H -7.199620 2.497579 0.737511
H -7.873091 3.055811 -0.796572
H -8.494803 1.584981 -0.042928


%chk=000203102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203102

0 1
O 2.195376 0.443241 -0.358077
O 3.915549 -1.634258 0.767903
O -0.248974 -1.976347 0.935751
O -1.823072 0.522723 -0.551279
O -2.827010 -1.325784 0.526673
N -3.981797 0.002279 -1.020924
C 1.670318 -0.635176 0.520834
C 0.204133 -0.862598 0.111870
C 2.519801 -1.899334 0.351169
C -0.616431 0.426799 0.322056
C 3.605103 0.570902 -0.324677
C 4.439502 -0.435823 0.236158
C -6.355136 -0.034081 -0.158128
C 4.174822 1.740928 -0.865647
C -5.249575 -0.748812 -0.969258
C 5.836003 -0.246126 0.277937
C -6.793820 1.323965 -0.752426
C -2.887669 -0.347162 -0.280185
C 5.574726 1.921519 -0.834416
C 6.404515 0.931871 -0.252531
C -7.938856 1.978255 0.050580
H 1.728503 -0.293242 1.574345
H 0.176130 -1.114260 -0.972387
H 2.509977 -2.227395 -0.707360
H 2.149390 -2.703176 1.001080
H -0.027992 1.304998 0.016800
H -0.926916 0.509514 1.381302
H -1.257168 -1.961968 0.924654
H -6.005995 0.106293 0.883496
H -7.231920 -0.711608 -0.111705
H 3.509617 2.496289 -1.296386
H -5.595779 -0.922353 -2.006977
H -5.020690 -1.728224 -0.516266
H 6.454308 -1.033877 0.719785
H -7.115362 1.177112 -1.804454
H -5.927922 2.016812 -0.777675
H -3.902714 0.837619 -1.602273
H 6.012947 2.832163 -1.255729
H 7.489862 1.072162 -0.218381
H -7.634363 2.158395 1.098505
H -8.236215 2.948559 -0.386776
H -8.832404 1.326505 0.068518


