%chk=000274539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274539

0 1
O -1.728638 1.361258 -1.862376
O -3.321187 1.205043 0.541254
O 1.262346 2.518640 -1.766099
O -4.071800 -0.922742 0.773604
O 0.357893 3.347745 0.142005
N -0.648413 -0.406223 1.561582
C -1.090545 -1.375500 0.534296
C 0.369473 0.564529 1.059457
C -1.987670 -0.512953 -0.410794
C 0.144476 0.963314 -0.424069
C -1.259054 0.709265 -0.964714
C -0.063735 -2.148627 -0.283195
C 1.771043 0.017343 1.247158
C 1.335437 -2.021675 -0.238303
C 2.134196 -1.246742 0.746405
C -0.281023 -1.046342 2.855693
C -3.243507 -0.142359 0.363628
C 0.552171 2.415985 -0.599352
C -0.639003 -3.067855 -1.190270
C 2.663450 0.749635 2.044330
C 2.099131 -2.711340 -1.214751
C 3.361039 -1.798660 1.174433
C 0.130638 -3.777841 -2.103313
C 3.898631 0.212755 2.405679
C 1.515703 -3.572486 -2.135233
C 4.233171 -1.080599 1.991420
C -4.483737 1.749227 1.252055
C 1.730180 3.844855 -2.177576
C -5.684564 1.760554 0.331668
C 2.944449 4.239156 -1.364106
H -1.753431 -2.135632 1.046896
H 0.214832 1.488839 1.694878
H -2.323053 -1.126669 -1.291996
H 0.820915 0.335654 -1.084136
H 0.078946 -0.278703 3.560233
H 0.487287 -1.831975 2.781900
H -1.194814 -1.486186 3.291831
H -1.720138 -3.225533 -1.178985
H 2.384571 1.746138 2.391291
H 3.180002 -2.558259 -1.253262
H 3.636328 -2.809200 0.868516
H -0.337267 -4.478317 -2.793448
H 4.589920 0.789450 3.017777
H 2.129156 -4.088041 -2.872698
H 5.176560 -1.526418 2.303911
H -4.644745 1.151518 2.165843
H -4.107654 2.760252 1.497980
H 1.956342 3.658043 -3.243589
H 0.893045 4.557647 -2.072132
H -6.517417 2.327082 0.763716
H -5.439874 2.213794 -0.639391
H -6.044703 0.740614 0.130689
H 3.409036 5.152195 -1.754408
H 2.673706 4.428807 -0.314193
H 3.705500 3.448339 -1.365242


%chk=000274539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274539

0 1
O -1.657207 1.392135 -1.975781
O -3.327729 1.254919 0.492138
O 1.206190 2.589065 -1.812884
O -3.981092 -0.949999 0.869228
O 0.437639 3.327341 0.262624
N -0.656262 -0.488998 1.498801
C -1.085266 -1.403748 0.437529
C 0.360497 0.506090 1.082321
C -1.980163 -0.511243 -0.491496
C 0.179715 0.954866 -0.403331
C -1.217897 0.708821 -1.022510
C -0.018315 -2.192385 -0.358994
C 1.770888 -0.030525 1.325015
C 1.410426 -2.094344 -0.234089
C 2.189518 -1.284907 0.774433
C -0.498543 -1.046067 2.851468
C -3.204409 -0.112231 0.353630
C 0.605337 2.412458 -0.576377
C -0.564869 -3.109543 -1.299505
C 2.621965 0.679225 2.203955
C 2.194734 -2.864025 -1.154108
C 3.452059 -1.792871 1.203282
C 0.230401 -3.884905 -2.160325
C 3.888438 0.180656 2.573497
C 1.634074 -3.736683 -2.101158
C 4.293195 -1.079230 2.081197
C -4.479219 1.757616 1.309281
C 1.595249 3.988148 -2.179474
C -5.731361 1.900185 0.441240
C 3.008398 4.300681 -1.680220
H -1.770722 -2.142638 0.895320
H 0.216181 1.408009 1.706800
H -2.364728 -1.072061 -1.364334
H 0.847886 0.353421 -1.052921
H -0.347195 -0.218224 3.567804
H 0.356080 -1.750819 2.965005
H -1.427644 -1.573938 3.131404
H -1.656024 -3.218635 -1.346153
H 2.272891 1.638605 2.605341
H 3.282040 -2.741395 -1.141436
H 3.770176 -2.786205 0.870490
H -0.233389 -4.575529 -2.872543
H 4.534129 0.749867 3.250930
H 2.284338 -4.291088 -2.786210
H 5.251658 -1.512992 2.386790
H -4.640964 1.058894 2.148816
H -4.117233 2.728705 1.681558
H 1.529672 3.992003 -3.278846
H 0.850684 4.680473 -1.749932
H -6.543219 2.361024 1.034174
H -5.530802 2.544054 -0.431874
H -6.079177 0.915200 0.087636
H 3.313274 5.304468 -2.030431
H 3.044683 4.294298 -0.577962
H 3.734617 3.564801 -2.066316


