%chk=000231423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231423

0 1
O -4.190871 -1.916634 0.480086
O -3.665523 0.311077 1.960448
O -2.137755 -3.701175 -0.236063
O -3.798373 0.201900 -1.097717
O -1.873190 2.726298 0.618481
O -3.919792 2.814361 -0.320675
O 1.298848 1.423642 -0.764709
N 0.086586 -0.980512 -0.217912
N 1.422608 -0.773101 -0.004818
N 6.178236 0.745253 0.465897
C -2.833166 -1.645398 0.835449
C -2.663177 -0.124733 1.049805
C -1.927785 -2.279261 -0.248827
C -2.733745 0.684423 -0.269852
C -0.449981 -2.135507 0.036861
C -2.945588 2.170391 -0.004679
C 1.954369 0.513859 -0.327627
C 3.431694 0.567229 -0.040768
C 4.347980 0.226403 -1.039710
C 3.882929 0.998613 1.209760
C 5.718541 0.332245 -0.742853
C 5.271275 1.074767 1.420752
H -2.722629 -2.183373 1.810337
H -1.707010 0.125503 1.576268
H -2.195981 -1.904488 -1.268348
H -1.801656 0.525429 -0.883799
H 0.023941 -3.056723 0.405692
H -4.425234 -1.434331 -0.370987
H -4.534305 -0.128675 1.755412
H -3.106974 -3.892775 -0.155796
H -4.571887 0.833163 -1.085000
H -1.994241 3.703445 0.796217
H 2.038201 -1.521319 0.337197
H 4.016348 -0.098779 -2.024829
H 3.184761 1.281324 1.996386
H 6.482755 0.081773 -1.490073
H 5.682394 1.410386 2.381693


%chk=000231423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231423

0 1
O -4.253166 -2.041994 0.174816
O -3.829061 -0.083102 2.096682
O -2.151705 -3.590577 -0.863471
O -3.964188 0.371020 -0.938677
O -2.097119 2.538087 1.351924
O -4.040668 2.838363 0.104270
O 1.400723 1.597721 -0.552395
N 0.110632 -0.870547 -0.457559
N 1.451394 -0.715014 -0.151488
N 6.342726 0.764925 0.469030
C -2.861121 -1.773410 0.611997
C -2.764048 -0.311497 1.117473
C -1.922935 -2.175851 -0.564874
C -2.843384 0.714228 -0.044170
C -0.456090 -2.030045 -0.245199
C -3.072050 2.130353 0.472034
C 2.047908 0.553881 -0.275315
C 3.534647 0.569029 -0.016791
C 4.388373 -0.548350 -0.207348
C 4.119620 1.789717 0.401528
C 5.771586 -0.401145 0.045549
C 5.510397 1.838398 0.635368
H -2.696192 -2.460124 1.461009
H -1.815702 -0.142315 1.651237
H -2.176716 -1.542694 -1.439987
H -1.891074 0.691702 -0.609726
H 0.050617 -2.927171 0.158884
H -4.468510 -1.291581 -0.467983
H -4.609672 -0.629833 1.804738
H -3.139006 -3.720117 -0.840350
H -4.535459 1.185305 -1.030165
H -2.275665 3.463063 1.671556
H 2.003811 -1.505139 0.211754
H 4.016350 -1.507329 -0.585809
H 3.487679 2.673608 0.527749
H 6.458565 -1.241957 -0.101342
H 5.991105 2.765091 0.966750


