%chk=000229420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229420

0 1
O 0.578062 1.567520 1.411910
O -2.686400 -0.160383 -1.156181
O -0.090754 2.184363 -0.660730
O -2.960082 0.617574 0.954700
O -1.187493 -2.829045 0.705851
N -0.466175 -0.776635 1.440563
N 4.457326 0.872464 -1.706294
C -0.705015 -0.046335 0.184474
C -0.168235 -0.780292 -1.061857
C 1.319233 -1.002174 -1.024314
C -0.059986 1.365034 0.223401
C -2.245434 0.189880 0.082893
C 2.183605 0.019533 -1.432686
C 1.832338 -2.235248 -0.596155
C -0.720083 -2.150458 1.601546
C 3.576078 -0.191835 -1.390379
C 3.215037 -2.437667 -0.566369
C 4.096179 -1.431253 -0.958009
C 1.267826 2.849089 1.620159
C -4.118564 -0.007572 -1.446788
C -0.373829 -2.674199 2.965919
C 0.254833 3.928063 1.927290
C -4.435018 1.449886 -1.698634
H -0.711131 -1.756703 -1.158208
H -0.460035 -0.208924 -1.973405
H -0.085347 -0.223518 2.214397
H 1.782074 0.971606 -1.775202
H 1.153064 -3.032109 -0.295506
H 3.610671 -3.397955 -0.234348
H 5.167768 -1.597000 -0.921192
H 1.913550 2.587912 2.478788
H 1.873260 3.063991 0.721606
H -4.205432 -0.641289 -2.348764
H -4.692100 -0.435608 -0.605912
H 0.692458 -2.555623 3.202539
H -0.599572 -3.752549 3.019800
H -0.954099 -2.186489 3.761584
H 4.081389 1.601344 -2.296659
H 5.392939 0.610110 -1.981355
H -0.353736 4.170735 1.042141
H -0.442433 3.618642 2.717882
H 0.741071 4.854703 2.255358
H -4.364525 2.040478 -0.772456
H -3.734264 1.896874 -2.417188
H -5.448718 1.578660 -2.095710


%chk=000229420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229420

0 1
O 0.597633 1.524414 1.398283
O -2.671605 -0.112041 -1.240281
O -0.168724 2.112827 -0.722128
O -2.920828 0.371517 1.025331
O -1.776971 -2.630317 0.874849
N -0.365756 -0.867991 1.391682
N 4.537280 0.774386 -2.118584
C -0.656538 -0.150992 0.144836
C -0.069367 -0.875324 -1.122351
C 1.439768 -1.055160 -1.065614
C -0.068451 1.280304 0.204125
C -2.211307 0.044686 0.049506
C 2.292656 -0.068820 -1.614360
C 2.007829 -2.210940 -0.468100
C -0.967879 -2.073977 1.684171
C 3.708870 -0.209374 -1.568818
C 3.412714 -2.355826 -0.419855
C 4.264778 -1.370005 -0.957612
C 1.194580 2.889344 1.574190
C -4.140531 0.103062 -1.449469
C -0.622574 -2.673810 3.040820
C 0.147819 3.862247 2.120425
C -4.440666 1.589048 -1.659163
H -0.583994 -1.848597 -1.182593
H -0.366678 -0.277871 -1.999042
H 0.247606 -0.400593 2.061438
H 1.853156 0.815641 -2.094254
H 1.353620 -2.992034 -0.066153
H 3.852204 -3.251822 0.034239
H 5.353847 -1.498413 -0.919047
H 2.021074 2.717444 2.281434
H 1.588870 3.218159 0.597235
H -4.358791 -0.499347 -2.345201
H -4.676277 -0.303853 -0.574536
H 0.278785 -2.228106 3.495821
H -0.473144 -3.759921 2.928090
H -1.475514 -2.525015 3.727248
H 4.141173 1.580648 -2.592285
H 5.545701 0.656256 -2.130780
H -0.663869 4.016222 1.390347
H -0.287035 3.487933 3.062674
H 0.622503 4.840604 2.321217
H -4.221543 2.165533 -0.745202
H -3.842557 1.997911 -2.491334
H -5.511567 1.719559 -1.902701


