%chk=000295909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295909

0 1
O -2.896163 1.840110 0.088331
O -2.802854 -1.585873 0.228461
O 0.767099 0.866020 1.642845
O -2.301102 1.294804 -2.035788
O -1.055504 -2.062468 -1.141134
N 2.358444 1.055312 -0.044604
N 0.108952 0.417417 -0.514204
C 4.181715 -0.202678 1.166877
C 3.475638 1.139766 0.934782
C 5.055941 -0.630693 -0.018471
C -1.268586 0.163743 -0.099750
C 5.771045 -1.950604 0.259666
C 1.075403 0.758772 0.465639
C -2.193716 1.140384 -0.845209
C -1.646674 -1.287116 -0.434268
C -3.824305 2.879522 -0.375350
C -3.352088 -2.940216 0.087884
C -3.047557 4.107614 -0.794827
C -2.553702 -3.906822 0.933892
H 4.804843 -0.125516 2.080992
H 3.435580 -0.990139 1.395447
H 4.186176 1.905975 0.550311
H 3.073108 1.528675 1.903010
H 5.802057 0.157914 -0.240889
H 4.438595 -0.731148 -0.932051
H -1.377487 0.326463 1.025868
H 2.624913 0.691286 -0.958159
H 0.323730 0.273727 -1.498338
H 5.060775 -2.764181 0.449070
H 6.392914 -2.251790 -0.591253
H 6.427106 -1.880157 1.135017
H -4.425972 3.030484 0.540375
H -4.439599 2.459309 -1.189875
H -3.353717 -3.205497 -0.984004
H -4.381101 -2.776311 0.458650
H -3.712221 4.959167 -0.983126
H -2.326338 4.411476 -0.023372
H -2.475109 3.924995 -1.716963
H -3.034214 -4.891588 0.980229
H -1.541015 -4.053171 0.528084
H -2.438712 -3.543268 1.964105


%chk=000295909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295909

0 1
O -2.894368 1.765706 0.189913
O -2.926890 -1.553639 0.065557
O 0.878189 0.991079 1.622643
O -2.211069 1.271844 -1.989839
O -0.947037 -2.199819 -0.993812
N 2.442896 0.829192 -0.115478
N 0.186967 0.297304 -0.504865
C 4.476952 0.006593 1.139594
C 3.590397 1.205627 0.726857
C 5.169908 -0.699728 -0.047850
C -1.180557 0.090401 -0.070981
C 6.060354 -1.879258 0.399519
C 1.162126 0.719955 0.413508
C -2.139717 1.091830 -0.752560
C -1.636470 -1.349139 -0.390490
C -3.863224 2.787475 -0.328441
C -3.522578 -2.909496 -0.176166
C -3.165174 4.135284 -0.524189
C -3.123475 -3.877741 0.939469
H 5.249462 0.375482 1.845309
H 3.854945 -0.720145 1.697825
H 4.199299 1.956496 0.184796
H 3.169917 1.689230 1.625087
H 5.783631 0.038060 -0.605837
H 4.400539 -1.073598 -0.754186
H -1.216988 0.257556 1.020799
H 2.611187 0.594693 -1.094127
H 0.438339 -0.047258 -1.432621
H 5.462840 -2.644616 0.929087
H 6.550454 -2.368124 -0.462333
H 6.853102 -1.535896 1.090707
H -4.634291 2.826105 0.456830
H -4.293960 2.411521 -1.273128
H -3.184880 -3.266231 -1.164986
H -4.605767 -2.711441 -0.190166
H -3.909020 4.899939 -0.815648
H -2.677968 4.464291 0.409476
H -2.405637 4.071543 -1.321077
H -3.639391 -4.844773 0.792735
H -2.036432 -4.062879 0.929190
H -3.410315 -3.479725 1.927781


