%chk=000193866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193866

0 1
O 0.632158 3.462177 -0.812791
O 2.914470 2.933825 0.783300
O 2.735680 0.098290 -1.369632
O 5.414178 -0.156619 0.188859
O 3.487396 -2.616337 -0.513538
O -5.297215 -0.514086 -0.502553
O -3.831990 3.811781 -0.586159
N -0.652768 0.556564 0.463978
N -2.631011 -1.433611 -0.082017
N -2.220974 2.225215 -0.083857
N -4.549829 1.637289 -0.535103
C 1.039107 2.113263 -0.559171
C 0.363192 1.613191 0.738342
C 2.578647 2.252346 -0.434924
C 3.286274 0.889005 -0.303066
C -0.302451 -0.813202 0.465981
C -1.949065 0.937734 0.083776
C -1.301039 -1.788186 0.173545
C 1.016533 -1.253174 0.727224
C -2.931387 -0.164834 -0.115950
C 4.813990 0.978592 -0.443220
C 1.358544 -2.589421 0.604418
C 0.363582 -3.569291 0.315685
C -0.948264 -3.161853 0.122805
C -4.362206 0.239914 -0.396389
C 2.821551 -2.946194 0.723386
C 0.712324 -5.017749 0.222584
C -3.530259 2.658707 -0.409987
H 0.783812 1.477460 -1.440781
H 1.112163 1.242070 1.474507
H -0.138332 2.481144 1.245611
H 2.960280 2.843281 -1.300579
H 3.032600 0.408881 0.678977
H 1.789281 -0.516064 0.995857
H 5.129740 1.039398 -1.498709
H 5.222472 1.835693 0.132470
H -1.743644 -3.885648 -0.088622
H -0.359393 3.531918 -0.849898
H 2.480042 3.824079 0.780646
H 3.360079 -2.318556 1.465609
H 3.003683 -4.008701 0.963299
H 2.969640 -0.861081 -1.230540
H -0.164096 -5.649046 0.007866
H 1.438315 -5.216482 -0.577926
H 1.137493 -5.394943 1.165175
H -5.508232 1.959828 -0.744698
H 5.197357 -0.981265 -0.304386
H 3.189672 -3.220604 -1.230204


%chk=000193866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193866

0 1
O 0.362870 2.773730 -1.469651
O 2.513934 3.665300 -0.278685
O 3.536384 0.120276 -0.222974
O 5.816454 1.149307 0.805460
O 3.515932 -2.791952 -0.104720
O -5.401345 -0.138070 0.288516
O -3.334368 3.958102 -0.526723
N -0.547216 0.270477 0.256098
N -2.825340 -1.430753 0.282710
N -1.909423 2.126028 -0.199929
N -4.308252 1.890535 -0.078435
C 1.187654 1.692793 -0.926224
C 0.610750 1.198895 0.424900
C 2.616469 2.311836 -0.819662
C 3.593215 1.562441 0.094346
C -0.363532 -1.124368 0.263708
C -1.819221 0.813554 0.068696
C -1.540225 -1.958358 0.281041
C 0.919060 -1.724883 0.236699
C -2.952282 -0.106587 0.178528
C 5.032533 2.057727 -0.057674
C 1.043810 -3.124412 0.210713
C -0.119255 -3.976854 0.253706
C -1.382815 -3.374199 0.292416
C -4.327379 0.498250 0.142513
C 2.431913 -3.746818 0.094410
C 0.020159 -5.487166 0.242201
C -3.173916 2.735193 -0.284017
H 1.227385 0.836671 -1.628624
H 1.370865 0.660620 1.005690
H 0.253285 2.065321 1.007557
H 3.016510 2.340811 -1.857381
H 3.290072 1.722659 1.150480
H 1.826881 -1.111437 0.200062
H 5.358411 1.972213 -1.115078
H 5.100790 3.109826 0.275621
H -2.299089 -3.971953 0.317542
H -0.571152 2.721247 -1.037596
H 1.669101 4.019130 -0.688455
H 2.694602 -4.276507 1.028779
H 2.423558 -4.507094 -0.717619
H 4.306492 -0.297579 0.251348
H -0.960515 -5.975728 0.359899
H 0.463029 -5.849390 -0.705834
H 0.674380 -5.845225 1.059352
H -5.220209 2.358992 -0.120737
H 6.778625 1.366771 0.757117
H 3.322509 -2.204673 -0.880890


