%chk=000206510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206510

0 1
O 1.173376 1.677734 0.503781
O -5.208262 0.950738 -0.134731
O -3.734795 2.780462 0.187206
N 0.171434 -0.344073 0.176349
C 3.830168 0.761207 0.449201
C 5.174830 0.041898 0.694117
C 4.026775 1.568650 -0.852088
C 6.251071 0.927282 0.038846
C 5.528837 1.891790 -0.924428
C 2.655550 -0.230032 0.368381
C 0.087356 -1.754825 0.018899
C -1.232346 -2.147935 -0.133730
C 1.051282 -2.890399 -0.015708
C -1.359273 -3.620306 -0.299671
C 0.116533 -4.124250 -0.228786
C 1.329421 0.485515 0.361300
C -2.068866 -0.983559 -0.079069
C -1.184394 0.134875 0.116010
C -3.468811 -0.808714 -0.178107
C -1.641676 1.469829 0.222072
C -3.895883 0.490889 -0.073872
C -3.004052 1.601889 0.121361
C -5.140797 2.402715 0.028499
H 3.635852 1.475256 1.287003
H 5.179701 -0.963463 0.240053
H 5.365520 -0.099654 1.769396
H 3.405785 2.481281 -0.845113
H 3.711784 0.989229 -1.735924
H 6.993988 0.313296 -0.495869
H 6.810106 1.492592 0.804105
H 5.716066 2.940203 -0.634382
H 5.906768 1.784865 -1.954234
H 2.696976 -0.926228 1.233662
H 2.760124 -0.863847 -0.538173
H 1.782067 -2.799570 -0.838899
H 1.624405 -2.985319 0.923499
H -1.979593 -4.071745 0.495142
H -1.832033 -3.886700 -1.261851
H 0.237644 -4.842543 0.596994
H 0.386565 -4.652283 -1.156615
H -4.139713 -1.647830 -0.325093
H -0.958226 2.307015 0.371858
H -5.510472 2.864587 -0.896435
H -5.665693 2.663480 0.956943


%chk=000206510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206510

0 1
O 1.198336 1.707773 0.445677
O -5.264482 0.999647 -0.214680
O -3.769652 2.843479 0.096724
N 0.159225 -0.353775 0.134894
C 3.857725 0.715298 0.371037
C 5.213425 0.004968 0.623954
C 4.109153 1.452088 -0.970459
C 6.289957 1.033262 0.165621
C 5.563462 1.990290 -0.845536
C 2.663855 -0.255446 0.363160
C 0.076294 -1.775155 -0.000463
C -1.240671 -2.158112 -0.147574
C 1.049438 -2.926500 -0.120445
C -1.368750 -3.644693 -0.378060
C 0.074491 -4.157631 -0.021111
C 1.310652 0.457240 0.315673
C -2.077037 -0.976597 -0.107325
C -1.189901 0.146115 0.077963
C -3.485003 -0.787162 -0.206755
C -1.654548 1.482686 0.176839
C -3.926692 0.530355 -0.104841
C -3.040597 1.622350 0.081032
C -5.193849 2.433411 0.165999
H 3.688504 1.477062 1.157569
H 5.268517 -0.910501 -0.000294
H 5.343515 -0.306234 1.677169
H 3.369165 2.248068 -1.156588
H 4.039716 0.722709 -1.804197
H 7.160470 0.530117 -0.292203
H 6.669238 1.606021 1.031619
H 5.553176 3.023760 -0.453273
H 6.072667 2.023904 -1.825332
H 2.685545 -0.886337 1.276034
H 2.754179 -0.949906 -0.494335
H 1.579544 -2.912413 -1.095352
H 1.822779 -2.965067 0.666951
H -2.138953 -4.128248 0.250882
H -1.629169 -3.865764 -1.432836
H 0.076416 -4.528044 1.019900
H 0.397071 -4.988593 -0.671970
H -4.176234 -1.619839 -0.354797
H -0.979576 2.325748 0.312058
H -5.773311 3.025641 -0.557955
H -5.552992 2.548029 1.207525


