%chk=000298793.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298793

0 1
O 5.253231 -1.359708 -1.913179
O -3.833536 -2.216042 0.121896
O 4.092239 -3.477045 -0.382069
O -5.714066 -1.100947 2.078560
N 1.080855 2.146739 -1.206945
N -0.942582 2.951147 0.457541
N -0.238412 1.968047 -1.644073
N 0.272270 2.566868 1.040798
C 2.604318 1.874588 0.793177
C -2.637320 2.293906 -1.298317
C 3.029005 0.473683 0.444821
C -3.447903 1.381552 -0.417950
C 1.244113 2.195870 0.241862
C -1.205024 2.364581 -0.851180
C 3.955627 0.262422 -0.592514
C -3.257419 -0.005302 -0.500120
C 2.501247 -0.612273 1.147545
C -4.379154 1.914053 0.485398
C 4.351202 -1.034327 -0.915988
C -4.014096 -0.854335 0.313334
C 3.815337 -2.142600 -0.199142
C -4.975327 -0.316620 1.200963
C 2.891835 -1.916335 0.829107
C -5.148346 1.068808 1.289182
C 5.829571 -0.271400 -2.676175
C -3.407056 -2.937374 1.311752
C 5.026183 -3.844858 -1.428108
C -6.647735 -1.999810 1.416404
H 3.331381 2.629875 0.415597
H 2.607137 2.012721 1.902067
H -3.059292 3.325038 -1.322962
H -2.687648 1.943468 -2.358925
H 4.362813 1.116063 -1.128117
H -2.527200 -0.435380 -1.187600
H 1.779929 -0.449526 1.948436
H -4.519175 2.991884 0.557466
H 1.692249 1.462463 -1.686268
H -1.704341 2.831661 1.147450
H 2.488061 -2.771409 1.371550
H -5.883643 1.469699 1.986802
H 6.407631 0.388494 -2.022957
H 6.486683 -0.812181 -3.369508
H 5.048928 0.269544 -3.218780
H -2.378456 -2.652284 1.549705
H -4.080579 -2.739375 2.153436
H -3.464998 -3.980067 0.981528
H 4.645823 -3.521583 -2.402744
H 6.009526 -3.408166 -1.224250
H 5.041219 -4.937131 -1.340531
H -7.036142 -2.587584 2.254836
H -7.438280 -1.412012 0.942367
H -6.127282 -2.629699 0.686122


%chk=000298793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298793

0 1
O 5.609118 -1.441315 -1.774141
O -3.252155 -2.035014 0.722922
O 3.602221 -3.467172 -1.777060
O -5.696098 -1.260190 2.139772
N 0.874167 2.543989 -1.235183
N -1.023275 3.134056 0.437937
N -0.485847 2.333446 -1.742112
N 0.166338 2.523960 1.041078
C 2.419005 1.688221 0.567037
C -2.863003 2.543959 -1.183912
C 2.744841 0.335951 -0.069083
C -3.601623 1.539079 -0.298932
C 1.091050 2.270095 0.134404
C -1.393073 2.669460 -0.845204
C 4.030608 0.097572 -0.614263
C -3.118288 0.212842 -0.172292
C 1.783870 -0.701865 -0.103210
C -4.767583 1.911042 0.414255
C 4.366654 -1.156229 -1.178826
C -3.783385 -0.725720 0.639886
C 3.399884 -2.209693 -1.183686
C -4.984950 -0.357325 1.315778
C 2.117444 -1.957893 -0.650809
C -5.457285 0.966881 1.208077
C 6.589186 -0.355725 -1.854613
C -2.794059 -2.424799 2.078045
C 4.810421 -4.228486 -1.397147
C -6.246811 -2.442173 1.434202
H 3.220081 2.415460 0.324675
H 2.382874 1.608964 1.668733
H -3.340885 3.539417 -1.092239
H -2.919362 2.253377 -2.248006
H 4.770160 0.905741 -0.601011
H -2.207405 -0.102968 -0.693641
H 0.781491 -0.529948 0.304834
H -5.150689 2.935576 0.336835
H 1.552200 2.156873 -1.896011
H -1.767317 3.205249 1.136202
H 1.389623 -2.774687 -0.685826
H -6.371170 1.234471 1.748119
H 6.895955 -0.011476 -0.847730
H 7.454585 -0.789018 -2.377278
H 6.192341 0.498886 -2.435925
H -1.952155 -1.779226 2.392494
H -3.617321 -2.350619 2.811437
H -2.452842 -3.466804 1.982960
H 5.726420 -3.698608 -1.703908
H 4.824809 -4.408065 -0.304346
H 4.717041 -5.186572 -1.930941
H -6.720972 -3.053889 2.216654
H -7.005111 -2.121381 0.695047
H -5.446321 -3.009905 0.927248


