%chk=000184238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184238

0 1
O -1.514001 -0.016245 1.902445
N -2.419347 1.095372 0.148275
N -3.776161 2.923834 0.112364
C -1.586862 -2.347595 -0.175093
C -0.949547 -0.914145 -0.293501
C 0.566103 -0.902228 -0.027717
C -1.057173 -3.210720 -1.333934
C -3.115637 -2.215385 -0.301063
C -1.235329 -3.001618 1.166785
C -1.608127 0.029102 0.697708
C 1.221785 0.410448 -0.481561
C 2.704144 0.371942 -0.220374
C -2.716022 1.383306 -1.214279
C 3.203414 0.703294 1.048910
C 3.593333 -0.001733 -1.239026
C -3.111168 2.090864 0.915666
C -3.538371 2.494559 -1.212397
C 4.578389 0.663839 1.292569
C 4.968197 -0.038957 -0.989624
C 5.463712 0.293350 0.274829
H -1.122472 -0.570248 -1.345164
H 0.766264 -1.068748 1.052471
H 1.039739 -1.757025 -0.554179
H -1.362036 -2.822358 -2.310552
H 0.037648 -3.272632 -1.328100
H -1.436018 -4.237136 -1.262478
H -3.590243 -3.201349 -0.375427
H -3.562089 -1.724167 0.571586
H -3.414841 -1.650737 -1.189373
H -1.808847 -3.921093 1.326063
H -1.451669 -2.334473 2.014533
H -0.175602 -3.268395 1.232705
H 0.765766 1.273808 0.046827
H 1.021595 0.590873 -1.556837
H -2.329332 0.795416 -2.024098
H 2.519151 0.991495 1.845248
H 3.215945 -0.261866 -2.225260
H -3.060761 2.111455 1.997643
H -3.978374 3.022199 -2.041866
H 4.961431 0.923284 2.278448
H 5.654902 -0.327231 -1.783831
H 6.534011 0.264843 0.466655


%chk=000184238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184238

0 1
O -1.372051 0.149573 1.869397
N -2.483556 1.097615 0.067611
N -3.957768 2.834582 0.083063
C -1.616205 -2.315720 -0.162115
C -0.926616 -0.886635 -0.308240
C 0.603513 -0.894145 -0.035305
C -1.172505 -3.195653 -1.362646
C -3.162130 -2.161618 -0.215905
C -1.221487 -3.007026 1.168787
C -1.581332 0.127610 0.629462
C 1.298623 0.424873 -0.474232
C 2.796732 0.393148 -0.206458
C -2.864042 1.325323 -1.279338
C 3.299407 0.641312 1.097660
C 3.718048 0.077614 -1.237501
C -3.186023 2.051000 0.842179
C -3.758035 2.384754 -1.246838
C 4.684874 0.575860 1.364455
C 5.105778 0.009543 -0.975355
C 5.594075 0.258397 0.327888
H -1.086841 -0.573386 -1.357777
H 0.777719 -1.053452 1.043416
H 1.071500 -1.738657 -0.573141
H -1.486316 -2.749888 -2.326071
H -0.078142 -3.342347 -1.391025
H -1.638688 -4.195442 -1.286935
H -3.638508 -3.159072 -0.230240
H -3.552891 -1.622008 0.666257
H -3.491258 -1.620266 -1.122961
H -1.787969 -3.950587 1.278614
H -1.445067 -2.364526 2.038164
H -0.146111 -3.257612 1.195610
H 0.839280 1.272639 0.071666
H 1.110234 0.593309 -1.553221
H -2.478308 0.744921 -2.110235
H 2.599477 0.892621 1.904746
H 3.345956 -0.109870 -2.252918
H -3.074482 2.097538 1.921357
H -4.272770 2.858502 -2.079438
H 5.056154 0.775418 2.376153
H 5.803764 -0.231387 -1.785387
H 6.669467 0.210344 0.532793


