%chk=000212923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212923

0 1
O -1.408461 1.395072 -0.355874
O 0.090532 -1.446593 0.272879
O -2.394531 0.741955 1.615643
O 1.581001 -3.110835 -0.271482
N -3.659225 1.366355 -0.261507
N 0.401805 -3.120068 1.739825
C 0.843910 0.626499 -0.759661
C 2.276899 0.643326 -0.235346
C -0.084641 1.318536 0.268447
C 0.292571 -0.796318 -1.017900
C 0.813465 1.382609 -2.099051
C 2.770596 1.794280 0.403549
C 3.140127 -0.443915 -0.426957
C 4.089520 1.844626 0.859637
C 4.460820 -0.391849 0.029206
C 4.940032 0.749858 0.676058
C -2.486591 1.089087 0.458739
C 0.795877 -2.613956 0.511624
C -4.915769 0.711453 0.191757
C -5.190169 -0.516342 -0.522983
C -5.419874 -1.539896 -1.115144
H 0.189836 2.368446 0.463686
H -0.144287 0.743990 1.215064
H 0.951596 -1.405753 -1.663057
H -0.731318 -0.758320 -1.435996
H 1.239312 2.388514 -1.998187
H -0.215425 1.505249 -2.462031
H 1.393936 0.865390 -2.870953
H 2.128963 2.663401 0.545051
H 2.793331 -1.353843 -0.928535
H 4.456133 2.740768 1.357579
H 5.115476 -1.249458 -0.123104
H 5.967118 0.788489 1.032143
H -3.571124 1.500033 -1.271382
H 0.944476 -3.859979 2.159588
H -0.184948 -2.571499 2.352888
H -4.854653 0.515873 1.298751
H -5.746580 1.450373 0.043056
H -5.618436 -2.421160 -1.618918


%chk=000212923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212923

0 1
O -1.333436 1.321606 -0.219776
O -0.285127 -1.325612 -0.319427
O -2.023986 0.007785 1.634560
O 1.226328 -3.111491 0.024812
N -3.505485 0.728209 -0.030284
N -0.476659 -2.544646 1.560285
C 1.008710 0.735786 -0.920133
C 2.441670 0.739183 -0.321744
C 0.087148 1.286030 0.212769
C 0.503165 -0.673109 -1.375508
C 0.934640 1.653744 -2.175237
C 3.068702 1.983525 -0.029467
C 3.152257 -0.448701 -0.006605
C 4.358927 2.042576 0.538937
C 4.446976 -0.390863 0.559756
C 5.059550 0.850886 0.834401
C -2.264596 0.617493 0.555480
C 0.254312 -2.409459 0.408364
C -4.692191 0.078433 0.545068
C -5.338615 -0.876011 -0.379393
C -5.902319 -1.655164 -1.149987
H 0.358419 2.330156 0.444590
H 0.163800 0.670542 1.123726
H 1.323795 -1.334474 -1.704153
H -0.210746 -0.548708 -2.205509
H 1.338511 2.660163 -1.974968
H -0.114933 1.765779 -2.500699
H 1.519486 1.219872 -3.006983
H 2.555243 2.926069 -0.253539
H 2.711405 -1.434780 -0.185284
H 4.815932 3.016478 0.748400
H 4.971864 -1.325253 0.788386
H 6.063190 0.891178 1.272265
H -3.575153 1.219322 -0.921969
H -0.267032 -3.316747 2.186281
H -1.154012 -1.810567 1.803157
H -4.353424 -0.440862 1.459926
H -5.432589 0.841838 0.855982
H -6.382428 -2.345811 -1.819378


