%chk=000202756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202756

0 1
O 0.835663 -0.563176 -0.438568
O 2.355893 1.350162 -0.120073
O 3.915864 0.350527 1.169244
O -0.172980 0.262417 1.424203
N -2.465621 0.027719 -0.552745
C 2.049375 -0.982392 0.234984
C 2.745522 -1.903039 -0.789052
C 1.785665 -1.793939 1.512139
C 2.998703 -3.239144 -0.069579
C 2.731744 -2.999996 1.428799
C -1.135391 0.628179 -0.848018
C -3.138233 0.613192 0.652834
C -3.362549 0.078148 -1.755349
C -4.403657 -0.200278 0.969505
C -4.635856 -0.737729 -1.473028
C -5.363201 -0.217531 -0.226923
C 2.901991 0.270021 0.519211
C -0.165605 0.120382 0.228264
C -1.031499 2.155314 -0.871687
C 3.004713 2.656479 0.067008
C 2.440045 3.494250 -1.060603
H 2.090472 -2.032960 -1.673558
H 3.684945 -1.461799 -1.164151
H 1.938465 -1.199845 2.431143
H 0.724948 -2.113342 1.539984
H 2.325501 -4.021733 -0.462693
H 4.028077 -3.596195 -0.239306
H 3.677400 -2.782445 1.960313
H 2.296594 -3.889421 1.912168
H -0.791426 0.219848 -1.842669
H -3.399193 1.684299 0.520589
H -2.427179 0.551005 1.510568
H -2.818799 -0.370315 -2.614824
H -3.632878 1.117030 -2.041607
H -4.116017 -1.238371 1.232806
H -4.900730 0.221470 1.861641
H -5.301126 -0.703532 -2.354339
H -4.362741 -1.802416 -1.325043
H -5.760553 0.797994 -0.412188
H -6.238851 -0.854638 -0.003890
H -1.303369 2.604549 0.092349
H 0.003658 2.479470 -1.093625
H -1.687179 2.584922 -1.635890
H 4.098997 2.520371 0.021177
H 2.708679 3.008653 1.070092
H 1.355059 3.303032 -1.177605
H 2.906950 3.252118 -2.023664
H 2.577508 4.565184 -0.873946


%chk=000202756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202756

0 1
O 0.820168 -0.337332 -0.622247
O 2.789621 1.476084 -0.172099
O 3.375192 0.499007 1.859428
O 0.044880 1.135135 1.008495
N -2.411486 0.076941 -0.590627
C 1.950792 -0.754996 0.282056
C 2.828666 -1.676836 -0.609989
C 1.419297 -1.662965 1.432005
C 2.171455 -3.067220 -0.450386
C 1.838392 -3.119620 1.063765
C -1.232046 0.832794 -1.102584
C -3.115812 0.678682 0.570460
C -3.350447 -0.368576 -1.648819
C -4.081730 -0.349217 1.196795
C -4.334115 -1.418792 -1.090322
C -5.087647 -0.868387 0.143096
C 2.746041 0.463346 0.778115
C -0.082314 0.594356 -0.116619
C -1.438434 2.351630 -1.341236
C 3.531679 2.710964 0.230704
C 3.357788 3.715329 -0.903266
H 2.869037 -1.299158 -1.644501
H 3.856840 -1.697001 -0.201152
H 1.838934 -1.334364 2.396030
H 0.323083 -1.559605 1.492690
H 1.244166 -3.112174 -1.051005
H 2.833471 -3.888576 -0.776579
H 2.741860 -3.408723 1.633382
H 1.047610 -3.852717 1.299648
H -0.939415 0.350686 -2.051871
H -3.704943 1.581356 0.265679
H -2.365399 1.004530 1.310928
H -2.764260 -0.806118 -2.478492
H -3.938572 0.489851 -2.068030
H -3.491113 -1.195646 1.597198
H -4.614916 0.120478 2.045939
H -5.047113 -1.712931 -1.884983
H -3.759761 -2.319773 -0.800539
H -5.749724 -0.034741 -0.172224
H -5.739161 -1.649832 0.578091
H -1.609499 2.882917 -0.389965
H -0.543087 2.789739 -1.819484
H -2.302625 2.522212 -2.008028
H 4.589145 2.439197 0.402142
H 3.105712 3.068652 1.185101
H 2.290439 3.951128 -1.055639
H 3.767290 3.320170 -1.848737
H 3.889860 4.652615 -0.657926


