%chk=000111333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111333

0 1
O -1.549956 0.520524 0.391621
O 2.497275 -1.582244 0.794371
O -1.500472 1.961545 2.167827
O -0.007407 4.368436 -2.167963
O 2.836244 0.256440 2.143360
O -7.695118 -0.723831 0.980015
O -7.126152 -2.101441 -0.588169
N 1.083129 0.150653 0.610184
N -0.327220 2.891087 -3.849451
N -6.877647 -1.227765 0.227631
C 0.565402 1.495004 0.899243
C 0.749302 2.483871 -0.262878
C 0.158545 2.016427 -1.594129
C -0.920105 1.401422 1.287230
C -0.051183 3.202354 -2.518106
C 2.215604 -0.319824 1.273983
C -2.887805 0.154801 0.452641
C 3.713227 -2.217753 1.320035
C 4.902952 -1.755520 0.531019
C -3.841978 0.723854 1.303044
C -3.202468 -0.861978 -0.472037
C 5.385258 -2.525380 -0.536803
C 5.536328 -0.549173 0.866302
C -5.155221 0.263832 1.225962
C -4.514013 -1.311916 -0.540524
C -5.486859 -0.746583 0.307341
C 6.502802 -2.094407 -1.257757
C 6.651135 -0.121992 0.141470
C 7.136769 -0.894731 -0.919025
H 1.107435 1.907716 1.812846
H 0.310751 3.473833 0.016189
H 1.835695 2.689185 -0.389200
H -0.818950 1.505131 -1.433091
H 0.821807 1.261252 -2.061921
H 0.639467 -0.393807 -0.127063
H 3.799252 -1.993260 2.400816
H 3.461761 -3.285056 1.168768
H -3.570710 1.509583 2.017167
H -2.423884 -1.281007 -1.107021
H -0.377716 1.957331 -4.208472
H -0.487632 3.636675 -4.511349
H 4.891889 -3.457211 -0.808379
H 5.147217 0.057644 1.689993
H -5.933287 0.684525 1.876096
H -4.803531 -2.102164 -1.244281
H 6.879340 -2.694432 -2.084594
H 7.142563 0.814013 0.403912
H 8.008169 -0.561664 -1.480854


%chk=000111333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111333

0 1
O -1.742617 0.259354 0.719726
O 2.468138 -1.386982 1.192276
O -1.997807 2.415384 1.645291
O 0.638836 4.532353 -1.953551
O 2.908688 0.783997 2.028417
O -8.049943 -0.832527 0.250578
O -7.182842 -2.810044 -0.488540
N 0.851193 0.203162 1.069963
N 1.519723 2.922508 -3.371885
N -7.057312 -1.607764 -0.032815
C 0.258237 1.531055 1.260218
C 0.755867 2.584960 0.219181
C 0.495076 2.180220 -1.246348
C -1.268443 1.486595 1.261776
C 0.889625 3.316997 -2.202463
C 2.140419 -0.049864 1.476550
C -3.111612 -0.104114 0.574781
C 3.886400 -1.779684 1.508956
C 4.810826 -1.519143 0.339169
C -4.217131 0.731786 0.871572
C -3.288008 -1.419610 0.082008
C 5.043845 -2.527154 -0.630986
C 5.457027 -0.262681 0.200569
C -5.516101 0.224992 0.668103
C -4.584015 -1.920072 -0.120464
C -5.685707 -1.086491 0.177435
C 5.903686 -2.285312 -1.725652
C 6.316637 -0.019780 -0.893588
C 6.542185 -1.029893 -1.858580
H 0.559568 1.911921 2.255406
H 0.269462 3.554859 0.423485
H 1.839067 2.714890 0.390831
H -0.586205 1.990123 -1.403806
H 1.031221 1.245335 -1.493690
H 0.294116 -0.545323 0.658245
H 4.196424 -1.220708 2.408290
H 3.796945 -2.854168 1.732805
H -4.067761 1.741728 1.252033
H -2.407710 -2.031837 -0.132452
H 1.755759 1.950144 -3.560859
H 1.775770 3.638935 -4.051694
H 4.551954 -3.502284 -0.526700
H 5.270576 0.517520 0.946995
H -6.396890 0.834847 0.885135
H -4.757663 -2.930431 -0.498401
H 6.081661 -3.072269 -2.467099
H 6.814264 0.951562 -0.990586
H 7.214578 -0.843091 -2.703634


