%chk=000291490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291490

0 1
O -3.519714 -0.984780 -0.714623
O 3.489068 -1.015721 -0.786452
O -4.541441 -1.389213 1.291651
O 4.548079 -1.429368 1.198500
N -2.740476 -2.709688 0.566703
N 2.721047 -2.733812 0.510713
C -3.974968 1.372995 -0.463442
C 3.970201 1.337918 -0.544784
C -4.472264 0.077785 -1.038529
C 4.444112 0.038437 -1.129892
C -4.215453 1.675823 0.885298
C 3.258956 2.251059 -1.335596
C -3.272085 2.279865 -1.268810
C 4.241016 1.638447 0.798707
C -1.457428 -2.631978 0.407347
C 1.435737 -2.644751 0.377694
C -3.760136 2.882526 1.421158
C 2.829475 3.462723 -0.785995
C -2.820719 3.487659 -0.728295
C 3.807476 2.849060 1.343738
C -0.684330 -3.894179 0.544962
C -0.676906 -1.398838 0.120375
C 0.654506 -3.900091 0.531237
C 0.660415 -1.404743 0.106672
C -3.064464 3.790274 0.615070
C 3.103433 3.763010 0.552063
C -3.676809 -1.642309 0.493382
C 3.665068 -1.674727 0.418135
H -5.473810 -0.203317 -0.659774
H -4.463082 0.046326 -2.144539
H 4.411947 0.007209 -2.235478
H 5.450703 -0.251555 -0.771771
H -4.753632 0.960656 1.515098
H 3.039459 2.020452 -2.376836
H -3.076070 2.047394 -2.314312
H 4.785690 0.918484 1.417361
H -3.948688 3.116157 2.468335
H 2.281148 4.173378 -1.402051
H -2.278908 4.193477 -1.355576
H 4.019556 3.080883 2.386809
H -1.276582 -4.809759 0.664124
H -1.262388 -0.495674 -0.099750
H 1.240969 -4.820876 0.638313
H 1.249214 -0.506760 -0.125480
H -2.713387 4.731997 1.033940
H 2.769363 4.707746 0.977998


%chk=000291490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291490

0 1
O -3.812632 -1.024632 -0.749141
O 3.773610 -1.055831 -0.827207
O -4.288026 -1.493349 1.508533
O 4.311678 -1.539504 1.413274
N -2.777613 -2.809751 0.277958
N 2.754849 -2.837913 0.221817
C -4.246687 1.397928 -0.335322
C 4.241102 1.361745 -0.422039
C -4.855823 0.071613 -0.730624
C 4.827221 0.030547 -0.835330
C -4.140445 1.762146 1.033089
C 3.760591 2.267678 -1.401790
C -3.775320 2.293860 -1.328637
C 4.165370 1.720451 0.949878
C -1.456246 -2.733101 0.262703
C 1.434202 -2.747701 0.233178
C -3.568415 3.000845 1.397823
C 3.210626 3.511932 -1.020491
C -3.204241 3.533600 -0.964097
C 3.614145 2.963507 1.331373
C -0.703668 -3.985363 0.102751
C -0.687832 -1.479709 0.404426
C 0.665898 -3.992275 0.088807
C 0.681595 -1.486599 0.390395
C -3.099825 3.889245 0.400910
C 3.136391 3.861981 0.347902
C -3.650615 -1.726036 0.451121
C 3.641562 -1.762164 0.374156
H -5.655549 -0.240436 -0.037132
H -5.219375 0.073167 -1.769787
H 5.163043 0.030711 -1.883786
H 5.642168 -0.290320 -0.163887
H -4.499252 1.066610 1.800060
H 3.817298 1.996867 -2.463330
H -3.855582 2.018664 -2.387514
H 4.531452 1.017401 1.706505
H -3.492493 3.275251 2.455801
H 2.845528 4.206440 -1.785209
H -2.846210 4.220367 -1.739073
H 3.561560 3.233475 2.391914
H -1.292164 -4.901715 0.000623
H -1.243659 -0.541507 0.511549
H 1.242930 -4.914518 -0.025037
H 1.248946 -0.554030 0.485637
H -2.660353 4.851968 0.685341
H 2.713159 4.828055 0.645309


