%chk=000296838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296838

0 1
O 0.169788 -0.958316 -0.833173
O -0.444609 0.710800 2.238018
O -3.076841 0.210222 -0.192025
O -1.522409 1.154488 -1.539824
N 1.188689 0.560377 0.593192
C 1.341707 -0.077652 -0.741092
C -0.835417 -0.538901 0.113220
C 2.562619 -0.977377 -0.900359
C -0.061905 0.314560 1.161924
C -1.495537 -1.803646 0.712350
C 2.318673 1.156088 1.346967
C 3.807118 -0.168087 -1.272689
C 3.402313 1.723363 0.422410
C 4.368326 0.655839 -0.106613
C -1.802039 0.379170 -0.658870
C -2.061068 -2.677336 -0.408527
C -0.487691 -2.575012 1.565678
C -4.129464 1.074275 -0.736275
C -4.042294 2.442617 -0.095891
H 1.224013 0.682136 -1.551435
H 2.338090 -1.728928 -1.688225
H 2.736844 -1.568245 0.020385
H -2.337949 -1.447428 1.365418
H 2.749623 0.390325 2.032750
H 1.894986 1.964734 1.992077
H 3.585239 0.496455 -2.131961
H 4.592960 -0.862975 -1.633674
H 3.977875 2.484357 0.989232
H 2.940909 2.278075 -0.419277
H 4.668920 -0.020915 0.717789
H 5.303749 1.150716 -0.439135
H -1.286265 -2.927602 -1.146106
H -2.463074 -3.617357 -0.016896
H -2.874107 -2.167561 -0.940363
H 0.414483 -2.819617 0.990815
H -0.915005 -3.518691 1.923247
H -0.183156 -2.003887 2.451521
H -4.024467 1.106272 -1.834941
H -5.030560 0.507445 -0.438835
H -4.923249 3.052653 -0.325396
H -3.960203 2.369158 0.997904
H -3.156315 2.993109 -0.446016


%chk=000296838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296838

0 1
O 0.238493 -1.206349 -0.806151
O -0.538332 0.566092 2.234468
O -3.034745 0.270289 -0.109148
O -1.439317 0.848807 -1.709387
N 1.169831 0.375069 0.611929
C 1.348727 -0.231782 -0.730359
C -0.838908 -0.749538 0.090828
C 2.672191 -0.965513 -0.950588
C -0.086660 0.145034 1.134890
C -1.538340 -1.972190 0.737037
C 2.178979 1.173340 1.332978
C 3.836608 -0.012313 -1.306816
C 3.222715 1.858673 0.425217
C 4.304682 0.910817 -0.155970
C -1.783190 0.191717 -0.699165
C -2.199711 -2.858832 -0.344391
C -0.550045 -2.792265 1.597290
C -3.989586 1.271229 -0.688959
C -3.733620 2.658034 -0.094342
H 1.189397 0.535922 -1.516428
H 2.497962 -1.664200 -1.790669
H 2.909940 -1.578172 -0.060211
H -2.321811 -1.550712 1.394161
H 2.706147 0.527235 2.065905
H 1.617615 1.923225 1.920909
H 3.534950 0.610473 -2.174669
H 4.698889 -0.618855 -1.644766
H 3.729719 2.618054 1.051643
H 2.716020 2.415327 -0.388215
H 4.709788 0.290747 0.670758
H 5.148831 1.525173 -0.526555
H -1.440808 -3.243752 -1.048667
H -2.701476 -3.721751 0.129648
H -2.960138 -2.302292 -0.921010
H 0.274731 -3.185398 0.976456
H -1.076448 -3.649679 2.054469
H -0.122505 -2.186071 2.415748
H -3.873239 1.269545 -1.787052
H -4.976790 0.872483 -0.407065
H -4.510657 3.362303 -0.445501
H -3.766568 2.622792 1.007785
H -2.750019 3.044986 -0.408739


