%chk=000200102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200102

0 1
O -0.824949 -1.787184 -0.729257
O -1.252401 -1.790147 1.489392
N 3.279336 -0.950734 -0.020540
C -2.121921 0.047624 0.080340
C -3.208961 0.289697 1.161492
C -2.931668 -0.092823 -1.232978
C -4.490146 -0.398653 0.661143
C -4.292852 -0.688952 -0.838784
C -1.050418 1.123230 0.048441
C -1.383884 -1.261278 0.410914
C -0.610820 1.711672 1.245653
C -0.454784 1.511897 -1.161109
C 0.055972 -2.947986 -0.593109
C 1.382210 -2.537368 0.031282
C 0.383424 2.692984 1.227765
C 0.538958 2.495013 -1.175955
C 2.058902 -1.406587 -0.762309
C 0.957789 3.091462 0.016673
C 2.909937 -0.084799 1.148538
C 4.266686 -0.301112 -0.931436
C 4.082969 0.017356 2.124343
C 3.785947 0.950718 -1.672836
H -3.376429 1.374153 1.288754
H -2.896710 -0.105283 2.145911
H -2.407039 -0.721720 -1.973717
H -3.069804 0.901652 -1.695601
H -4.672953 -1.334651 1.218225
H -5.372092 0.240267 0.833113
H -5.105482 -0.254657 -1.443857
H -4.312585 -1.776478 -1.029662
H -1.035499 1.399092 2.199865
H -0.754472 1.043465 -2.098098
H 0.142559 -3.264584 -1.647546
H -0.466913 -3.714003 0.005804
H 2.061251 -3.410289 0.100894
H 1.217481 -2.216894 1.085133
H 0.712473 3.146492 2.161770
H 0.988377 2.794624 -2.121547
H 2.362630 -1.786042 -1.760923
H 1.326436 -0.587074 -0.943491
H 1.727794 3.860271 0.003693
H 2.044393 -0.560254 1.667288
H 2.573751 0.930564 0.842313
H 4.594763 -1.071545 -1.664463
H 5.165861 -0.053997 -0.323343
H 4.494732 -0.976746 2.345670
H 4.900976 0.623280 1.720790
H 3.766060 0.466543 3.070706
H 3.405302 1.708131 -0.976661
H 2.978564 0.722767 -2.376230
H 4.601549 1.406387 -2.243054


%chk=000200102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200102

0 1
O -0.863164 -1.653562 -0.640053
O -1.625800 -1.767003 1.555720
N 3.461080 -1.040799 -0.084829
C -2.352972 0.123908 0.097085
C -3.592602 0.273376 1.038179
C -3.016134 0.040324 -1.307715
C -4.743601 -0.538457 0.362967
C -4.245295 -0.873784 -1.082313
C -1.316862 1.252285 0.270082
C -1.611287 -1.191732 0.441888
C -0.893352 1.624251 1.574343
C -0.752248 1.926666 -0.841631
C 0.025499 -2.834103 -0.384931
C 1.364153 -2.395896 0.222481
C 0.053461 2.654432 1.761658
C 0.192878 2.961579 -0.656224
C 2.185430 -1.477709 -0.710284
C 0.599236 3.331299 0.645824
C 3.263598 0.064197 0.890924
C 4.550993 -0.814253 -1.069125
C 4.497571 0.326306 1.774205
C 4.363025 0.374232 -2.054526
H -3.851460 1.345852 1.100750
H -3.371407 -0.086819 2.056238
H -2.333585 -0.340511 -2.084209
H -3.345817 1.057399 -1.596738
H -4.965241 -1.461423 0.926896
H -5.673458 0.057526 0.336880
H -5.025324 -0.716138 -1.847858
H -3.937468 -1.934675 -1.145147
H -1.303644 1.100428 2.445212
H -1.048578 1.646007 -1.857153
H 0.149004 -3.280933 -1.385996
H -0.505705 -3.531723 0.286228
H 1.961152 -3.302486 0.442609
H 1.169881 -1.903604 1.192483
H 0.364220 2.929131 2.776150
H 0.612871 3.475745 -1.528440
H 2.433741 -2.043993 -1.630204
H 1.550452 -0.615629 -1.026628
H 1.331220 4.134011 0.789741
H 2.420679 -0.222295 1.546227
H 2.949704 1.014540 0.390154
H 4.667086 -1.749986 -1.649963
H 5.496620 -0.678411 -0.512537
H 4.829129 -0.611343 2.254973
H 5.346179 0.738916 1.198896
H 4.247541 1.057278 2.565141
H 4.302198 1.340288 -1.520996
H 3.441605 0.257223 -2.653989
H 5.219099 0.427572 -2.753045


