%chk=000225712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225712

0 1
O -3.587257 0.958474 -0.949859
O -2.521117 -0.930185 -1.490230
O 1.238698 2.656539 0.135561
O 3.881876 -0.999857 -0.675560
N 1.700685 -1.367309 -0.055455
N 2.562447 0.862929 -0.264039
C -2.242699 0.063944 0.769944
C -1.811696 -1.296639 1.340554
C -1.080035 1.073369 0.812036
C -0.630949 -1.888337 0.559555
C 0.233663 0.481534 0.395706
C 0.438970 -0.865580 0.312356
C -2.739912 -0.084402 -0.655443
C 1.293769 1.445976 0.104580
C 2.812354 -0.519124 -0.362251
H -3.088182 0.473614 1.386266
H -2.660379 -2.009216 1.325676
H -1.534103 -1.165865 2.406791
H -0.981951 1.476150 1.845210
H -1.314858 1.960438 0.178318
H -1.002076 -2.255628 -0.435163
H -0.239101 -2.779664 1.089545
H 1.855202 -2.375777 -0.145721
H 3.343199 1.499907 -0.481303
H -3.925449 0.932108 -1.885674


%chk=000225712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225712

0 1
O -3.225544 1.133156 -1.150267
O -2.896001 -1.153896 -1.311681
O 1.200564 2.714713 0.204046
O 3.893496 -0.978642 -0.826667
N 1.686931 -1.326726 -0.113195
N 2.515973 0.853920 -0.297712
C -2.270402 0.042604 0.783053
C -1.828279 -1.323817 1.356709
C -1.115618 1.078522 0.880199
C -0.609894 -1.903471 0.601482
C 0.212669 0.505273 0.429188
C 0.440928 -0.851974 0.313957
C -2.799119 -0.099128 -0.643079
C 1.291242 1.454056 0.123554
C 2.787208 -0.513109 -0.443511
H -3.119298 0.435643 1.376662
H -2.658281 -2.049932 1.308566
H -1.571539 -1.177007 2.422679
H -1.033579 1.421312 1.930468
H -1.346448 1.979995 0.287668
H -0.952595 -2.339193 -0.357174
H -0.161541 -2.726684 1.192122
H 1.849148 -2.331735 -0.207748
H 3.284669 1.493164 -0.522908
H -3.573590 1.010357 -2.075013


