%chk=000214420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214420

0 1
O 0.160132 1.649968 0.997129
N -3.065223 1.664372 0.968737
N -5.481052 -0.534323 -0.896461
N -0.542698 -0.486281 1.293047
C -3.853575 0.430320 0.668787
C -4.670212 0.694623 -0.614456
C -2.054260 1.456120 2.045824
C -0.857104 0.789555 1.457954
C 1.168934 0.794144 0.509880
C 0.743188 -0.512458 0.688300
C 2.305588 1.492545 -0.068913
C 1.360283 -1.792578 0.338650
C -5.692808 -0.705705 -2.364285
C -6.793258 -0.486661 -0.185490
C 2.078450 2.612506 -0.890391
C 3.619403 1.071292 0.188861
C 2.699962 -2.060301 0.658687
C 0.590162 -2.773135 -0.312756
C 3.159190 3.291444 -1.455296
C 4.695151 1.755092 -0.382557
C 3.268896 -3.289567 0.315959
C 1.165843 -3.998735 -0.652442
C 4.467703 2.863213 -1.204598
C 2.505270 -4.258595 -0.341534
H -3.154717 -0.421865 0.489937
H -4.515050 0.116541 1.502664
H -5.283127 1.613633 -0.512988
H -3.962131 0.887778 -1.451326
H -2.420577 0.842018 2.905145
H -1.752076 2.451572 2.454700
H -3.693551 2.427784 1.240839
H -6.254229 -1.637903 -2.538287
H -4.712185 -0.827660 -2.853357
H -6.229328 0.117525 -2.856997
H -7.312175 -1.447452 -0.335419
H -7.466111 0.322116 -0.505053
H -6.614921 -0.383433 0.896380
H 1.055754 2.942985 -1.078626
H 3.798157 0.206813 0.835828
H 3.297651 -1.306895 1.178028
H -0.457962 -2.572135 -0.540668
H 2.982265 4.156176 -2.093290
H 5.713424 1.423564 -0.184959
H 4.308722 -3.492892 0.564940
H 0.568158 -4.755338 -1.158389
H 5.308294 3.393599 -1.648851
H 2.950251 -5.214985 -0.608187


%chk=000214420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214420

0 1
O -0.035695 1.426434 0.991825
N -3.162850 1.442429 1.137777
N -5.453649 -0.074246 -1.482651
N -0.460089 -0.738334 1.553397
C -3.832783 0.352977 0.397411
C -4.721881 0.953913 -0.709309
C -2.205387 1.012890 2.176213
C -0.919981 0.503259 1.591943
C 1.065254 0.646169 0.532170
C 0.808405 -0.680288 0.904803
C 2.084303 1.376547 -0.226776
C 1.614345 -1.910536 0.788923
C -5.867717 0.412535 -2.814557
C -6.587757 -0.666930 -0.744970
C 2.284852 2.766725 0.007843
C 2.854170 0.734501 -1.237507
C 3.036252 -1.889923 0.769569
C 0.948993 -3.167004 0.751313
C 3.243993 3.487331 -0.732811
C 3.813213 1.459885 -1.973271
C 3.769387 -3.092171 0.685694
C 1.684690 -4.367149 0.664388
C 4.017654 2.837682 -1.723020
C 3.098640 -4.336639 0.625276
H -3.064626 -0.284598 -0.075107
H -4.430888 -0.310197 1.069679
H -5.423965 1.706268 -0.253313
H -4.063857 1.512151 -1.399027
H -2.591214 0.194037 2.827764
H -1.982478 1.882828 2.821350
H -3.824199 2.144624 1.490614
H -6.321175 -0.416902 -3.387010
H -4.984355 0.768973 -3.372969
H -6.613595 1.247972 -2.773619
H -7.041596 -1.471655 -1.350627
H -7.389763 0.078936 -0.504097
H -6.241337 -1.114694 0.201709
H 1.680924 3.271217 0.768549
H 2.686759 -0.324066 -1.458987
H 3.569655 -0.936549 0.844018
H -0.144238 -3.181640 0.800709
H 3.387882 4.555819 -0.537859
H 4.393795 0.951645 -2.751112
H 4.864712 -3.058477 0.678671
H 1.156036 -5.326381 0.630126
H 4.763416 3.398147 -2.297395
H 3.670243 -5.269112 0.558960


