%chk=000245473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245473

0 1
O 6.271908 -0.371825 0.822480
O -5.418305 1.484392 0.087458
O -6.002362 -2.776926 -0.158038
N -3.640869 0.084438 0.281091
C 3.001669 0.105898 -0.099790
C 1.992806 -1.061993 -0.339041
C 0.605810 -0.720755 0.219859
C 0.078842 0.545753 -0.510044
C 4.333830 -0.550867 -0.590240
C 2.512541 1.300910 -0.938534
C -1.296507 0.983272 0.095099
C 1.097068 1.708304 -0.496667
C 2.731360 -2.299157 0.195839
C 4.215386 -2.034605 -0.148960
C -0.371532 -1.889935 0.004362
C 3.138363 0.504584 1.376390
C -2.241418 -0.223097 0.151492
C -1.915211 2.053751 -0.837002
C -1.807752 -1.496500 0.124301
C -1.135483 1.515472 1.528591
C 5.573908 0.127354 -0.031534
C -3.297347 2.491122 -0.370901
C -4.207193 1.346051 -0.002236
C 5.906027 1.468361 -0.629947
C -4.595798 -0.990830 0.667857
C -5.164993 -1.694701 -0.579126
H 1.881042 -1.199827 -1.446353
H 0.678404 -0.509512 1.314193
H -0.098253 0.263206 -1.578272
H 4.380804 -0.502916 -1.702295
H 2.514859 1.044627 -2.014129
H 3.204742 2.159351 -0.831869
H 1.151149 2.148511 0.519479
H 0.733382 2.519471 -1.156792
H 2.365163 -3.229073 -0.264694
H 2.592062 -2.414119 1.283911
H 4.864728 -2.230185 0.727030
H 4.567044 -2.704374 -0.948750
H -0.143535 -2.696425 0.732330
H -0.214371 -2.344521 -0.998297
H 2.163288 0.708226 1.833854
H 3.607932 -0.293492 1.966778
H 3.752055 1.402137 1.501272
H -1.978436 1.650471 -1.868266
H -1.248356 2.936147 -0.897956
H -2.489507 -2.345934 0.174801
H -0.559151 2.446122 1.553362
H -2.103502 1.713187 2.002656
H -0.615415 0.784269 2.161704
H -3.800600 3.100259 -1.154026
H -3.223091 3.166882 0.510318
H 6.364029 1.355507 -1.620962
H 5.017479 2.105702 -0.745841
H 6.631733 2.009726 -0.005489
H -5.429279 -0.535363 1.256820
H -4.102437 -1.726561 1.339868
H -4.382271 -2.196902 -1.177401
H -5.734151 -0.997080 -1.219129
H -6.836292 -2.434787 0.224084


%chk=000245473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245473

0 1
O 6.303689 -0.160482 0.868561
O -5.552238 1.437440 0.078338
O -6.151800 -2.825245 -0.219435
N -3.690802 0.045952 0.219233
C 3.051688 0.155927 0.035403
C 2.030914 -0.998723 -0.222754
C 0.601491 -0.699085 0.274331
C 0.080962 0.614711 -0.386103
C 4.355017 -0.524405 -0.562937
C 2.537436 1.407328 -0.715930
C -1.354797 1.008061 0.126924
C 1.103296 1.780892 -0.251835
C 2.757528 -2.265334 0.287055
C 4.257396 -2.012040 -0.085020
C -0.348154 -1.869612 -0.063316
C 3.257294 0.459886 1.543663
C -2.276544 -0.223089 0.104080
C -1.975816 2.056551 -0.846469
C -1.811815 -1.503317 0.011905
C -1.314051 1.581551 1.577882
C 5.662359 0.165831 -0.168586
C -3.397218 2.458243 -0.422720
C -4.293759 1.290214 -0.033332
C 6.166029 1.272696 -1.088348
C -4.625338 -1.047366 0.590985
C -5.247099 -1.746628 -0.640403
H 1.958406 -1.092286 -1.332677
H 0.616713 -0.572394 1.376225
H -0.023902 0.392176 -1.473593
H 4.259045 -0.467554 -1.667118
H 2.530360 1.201268 -1.807527
H 3.202764 2.278342 -0.550996
H 1.149793 2.118803 0.799924
H 0.759650 2.650813 -0.843185
H 2.366251 -3.189091 -0.174382
H 2.632847 -2.370448 1.381581
H 4.926190 -2.163070 0.779841
H 4.597565 -2.693807 -0.884939
H -0.145182 -2.724914 0.612285
H -0.118651 -2.242437 -1.087174
H 2.302522 0.666943 2.056257
H 3.750641 -0.375469 2.068032
H 3.904838 1.346286 1.675657
H -1.994622 1.624513 -1.866748
H -1.339912 2.959412 -0.887969
H -2.514528 -2.343403 -0.034173
H -0.895317 2.604137 1.593256
H -2.323781 1.625081 2.021676
H -0.697716 0.945008 2.236732
H -3.919955 3.008241 -1.225205
H -3.370184 3.144146 0.446029
H 6.554035 0.822376 -2.023618
H 5.347618 1.955734 -1.379680
H 6.978716 1.836384 -0.603981
H -5.440061 -0.592599 1.182639
H -4.095146 -1.780130 1.220180
H -4.477903 -2.248662 -1.249406
H -5.771438 -0.997291 -1.265542
H -6.959324 -2.424867 0.191124


