%chk=000219297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219297

0 1
O -0.251955 -1.443269 -2.278016
O 1.582242 0.202877 1.647227
N -1.369714 1.024632 -0.427601
C -1.258851 1.986454 0.726667
C -2.180415 3.198372 0.465945
C -2.777173 0.566326 -0.665164
C -3.633329 2.781564 0.219997
C -3.689603 1.775160 -0.932918
C -0.389523 -0.105026 -0.275796
C -1.522978 1.362461 2.105846
C 1.010184 0.421074 -0.658604
C -0.744605 -1.303783 -1.179162
C 1.917731 0.572458 0.536720
C -1.688809 -2.326744 -0.627212
C 3.251836 1.211181 0.314813
C -1.874806 -2.504195 0.751046
C -2.382003 -3.145293 -1.533616
C 3.819443 1.353873 -0.959421
C 3.954253 1.669182 1.442208
C -2.754906 -3.482981 1.218416
C -3.266397 -4.119275 -1.064331
C -3.453433 -4.287921 0.311619
C 5.072229 1.955931 -1.103586
C 5.204190 2.274626 1.295360
C 5.763385 2.418720 0.021582
H -0.198373 2.360034 0.716107
H -1.801124 3.750138 -0.417851
H -2.118724 3.898351 1.318557
H -3.180819 -0.036596 0.176505
H -2.784738 -0.079823 -1.571905
H -4.250316 3.668468 -0.015071
H -4.065966 2.340370 1.137735
H -4.725299 1.425233 -1.094846
H -3.375016 2.269635 -1.874442
H -0.347749 -0.481515 0.793241
H -2.499944 0.874023 2.158870
H -0.750125 0.619249 2.354878
H -1.495023 2.120959 2.894629
H 0.909176 1.389930 -1.201928
H 1.480299 -0.249438 -1.415381
H -1.324841 -1.881013 1.462475
H -2.215538 -3.015767 -2.606608
H 3.295330 0.993531 -1.845349
H 3.511459 1.540430 2.434378
H -2.894412 -3.621173 2.289545
H -3.804970 -4.750008 -1.770041
H -4.141054 -5.049669 0.678259
H 5.511179 2.063928 -2.094357
H 5.742920 2.630283 2.172249
H 6.739174 2.889733 -0.095070


%chk=000219297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219297

0 1
O -0.177783 -1.496332 -2.164682
O 1.847414 -0.087148 1.583692
N -1.447092 0.968910 -0.213765
C -1.438490 1.873026 0.973447
C -2.170964 3.192343 0.609701
C -2.780560 0.670842 -0.779176
C -3.588728 2.939583 0.046683
C -3.508154 1.978420 -1.160567
C -0.379915 -0.082232 -0.178521
C -1.993444 1.236285 2.281262
C 0.976398 0.526822 -0.613436
C -0.728565 -1.325885 -1.033122
C 2.048336 0.496911 0.473058
C -1.676375 -2.361543 -0.499701
C 3.359216 1.185090 0.209222
C -2.255944 -2.290191 0.796043
C -1.987415 -3.473544 -1.331868
C 3.653999 1.813470 -1.031194
C 4.337013 1.198297 1.241381
C -3.121816 -3.307890 1.248617
C -2.854216 -4.487121 -0.881092
C -3.424619 -4.408063 0.413214
C 4.900604 2.443921 -1.231881
C 5.580371 1.828840 1.040964
C 5.865348 2.454681 -0.197343
H -0.376100 2.124975 1.165546
H -1.572492 3.721102 -0.157842
H -2.214640 3.842273 1.504827
H -3.433557 0.081838 -0.088635
H -2.644659 0.050286 -1.683878
H -4.054641 3.897833 -0.251756
H -4.239812 2.501545 0.830270
H -4.520232 1.733062 -1.536767
H -2.952187 2.468280 -1.983658
H -0.238925 -0.453338 0.862215
H -3.042704 0.907997 2.171269
H -1.380183 0.370858 2.593016
H -1.954223 1.972389 3.105159
H 0.804574 1.568677 -0.944138
H 1.338787 -0.013900 -1.512197
H -2.027234 -1.450395 1.457309
H -1.528691 -3.516374 -2.325149
H 2.918756 1.806404 -1.842218
H 4.091956 0.704375 2.187580
H -3.556906 -3.246286 2.252095
H -3.084966 -5.338829 -1.530356
H -4.096130 -5.198282 0.767494
H 5.121841 2.924049 -2.191355
H 6.327597 1.834730 1.842073
H 6.832656 2.944938 -0.355244


