%chk=000216724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216724

1 1
O 3.282593 0.501389 0.349094
O 1.519397 -0.450126 -0.712238
N -2.332822 -0.225116 0.161021
C -1.085923 0.651721 0.034459
C -1.950969 -1.689219 0.468119
C -3.118840 -0.182136 -1.163954
C -3.211998 0.272871 1.289606
C -0.231941 0.713001 1.308111
C -1.080153 -2.321922 -0.597382
C -3.674016 1.187870 -1.501973
C 1.168558 1.250517 1.006181
C 1.962467 0.323935 0.115436
C 4.258392 -0.287533 -0.429533
C 4.368796 -1.673806 0.157028
H -0.459936 0.241137 -0.811325
H -1.391898 1.678327 -0.272191
H -2.890347 -2.275740 0.601955
H -1.416195 -1.709593 1.449853
H -2.439282 -0.530802 -1.981474
H -3.947717 -0.927573 -1.105293
H -4.189630 -0.244194 1.302786
H -2.743259 0.115670 2.277861
H -3.418546 1.355953 1.197572
H -0.707175 1.366114 2.070301
H -0.140166 -0.292548 1.775262
H -0.133590 -1.771672 -0.778250
H -1.578757 -2.450896 -1.565756
H -0.766164 -3.333613 -0.283856
H -2.909740 1.976593 -1.542090
H -4.469128 1.521357 -0.821158
H -4.135029 1.169754 -2.507926
H 1.129853 2.257069 0.530680
H 1.726530 1.424545 1.958606
H 5.165693 0.330185 -0.280536
H 3.943931 -0.284333 -1.487627
H 5.211547 -2.225158 -0.286903
H 4.540977 -1.647854 1.242156
H 3.464087 -2.270374 -0.022024


%chk=000216724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216724

1 1
O 3.309657 0.583411 0.184873
O 1.611880 -0.922359 -0.351729
N -2.457793 -0.199832 0.148288
C -1.073989 0.490960 0.100294
C -2.325133 -1.724068 0.452711
C -3.154333 -0.037069 -1.233194
C -3.324919 0.413776 1.241356
C -0.244312 0.397248 1.394589
C -1.442387 -2.518211 -0.515974
C -3.554004 1.393405 -1.613859
C 1.172704 0.976557 1.172746
C 2.027619 0.100195 0.256866
C 4.308373 -0.174165 -0.657672
C 5.004736 -1.244858 0.181568
H -0.521841 0.019425 -0.727017
H -1.269006 1.547163 -0.151681
H -3.361385 -2.107068 0.460892
H -1.931836 -1.794800 1.480059
H -2.452794 -0.451326 -1.974644
H -4.044632 -0.689914 -1.196422
H -4.347301 0.013791 1.155196
H -2.910325 0.147611 2.224186
H -3.341967 1.507450 1.133075
H -0.724478 0.959627 2.215397
H -0.135782 -0.653790 1.714759
H -0.395931 -2.168597 -0.527223
H -1.835644 -2.535573 -1.546049
H -1.432135 -3.565971 -0.165395
H -2.694474 2.079275 -1.695365
H -4.302608 1.830457 -0.933027
H -4.019680 1.350209 -2.614385
H 1.138760 2.000307 0.752361
H 1.697713 1.072388 2.139933
H 5.000810 0.614040 -0.990020
H 3.773004 -0.607635 -1.519732
H 5.791829 -1.728026 -0.425525
H 5.484687 -0.803268 1.071066
H 4.296517 -2.026965 0.503297


