%chk=000271481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271481

0 1
O -3.990614 0.907373 -0.503872
N 4.548005 -1.115390 -1.221228
C 0.581867 0.755276 1.073685
C 1.907056 -0.007308 0.763737
C 0.708981 2.215274 0.567045
C 2.278954 0.101949 -0.741403
C 1.776129 -1.477417 1.193654
C -0.616812 0.027325 0.469307
C 1.062849 2.295095 -0.919729
C 2.381487 1.570301 -1.200599
C 0.646799 -2.203323 0.456200
C 0.353911 0.802983 2.600408
C -0.580017 -1.363900 0.220027
C -1.792472 0.736161 0.212582
C 3.547915 -0.577984 -1.005693
C -1.717058 -2.007248 -0.288539
C -2.916659 0.064203 -0.299920
C -2.897484 -1.309795 -0.557324
C -5.211571 0.328734 -1.021899
H 2.725303 0.467300 1.358168
H 1.481942 2.738924 1.162610
H -0.234261 2.764518 0.757640
H 1.473027 -0.403940 -1.344950
H 1.595805 -1.520620 2.287225
H 2.732185 -2.013231 1.034390
H 1.137874 3.353178 -1.235002
H 0.245978 1.854077 -1.526594
H 2.622524 1.614203 -2.279997
H 3.216829 2.078854 -0.681184
H 0.370725 -3.114989 1.027084
H 1.020751 -2.571955 -0.523822
H 1.193262 1.269666 3.124074
H -0.550462 1.371136 2.847574
H 0.219413 -0.203189 3.016622
H -1.863230 1.806774 0.402392
H -1.687843 -3.080309 -0.481613
H -3.761299 -1.832432 -0.950074
H -5.606819 -0.414187 -0.323354
H -5.039982 -0.095566 -2.015162
H -5.870089 1.205281 -1.077364


%chk=000271481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271481

0 1
O -4.100015 0.904904 -0.491082
N 4.567727 -1.232487 -1.239886
C 0.586293 0.773923 1.072037
C 1.911739 -0.013695 0.780541
C 0.750959 2.240751 0.563370
C 2.316427 0.108201 -0.732434
C 1.780259 -1.493170 1.210496
C -0.620986 0.036536 0.442392
C 1.146632 2.347929 -0.922651
C 2.463653 1.590448 -1.186169
C 0.677454 -2.213994 0.404428
C 0.345792 0.849161 2.613367
C -0.579538 -1.371430 0.190416
C -1.825783 0.734481 0.196592
C 3.555333 -0.641528 -1.011911
C -1.742788 -2.007872 -0.303283
C -2.976779 0.079696 -0.296038
C -2.943463 -1.311679 -0.553204
C -5.321200 0.271057 -0.991086
H 2.717878 0.463596 1.376079
H 1.542967 2.716703 1.178923
H -0.171705 2.817348 0.757537
H 1.508099 -0.346244 -1.341993
H 1.547753 -1.535809 2.289649
H 2.744685 -2.017211 1.075379
H 1.265223 3.411258 -1.205133
H 0.340732 1.933126 -1.559348
H 2.732199 1.626102 -2.257963
H 3.291947 2.063737 -0.623362
H 0.406464 -3.160502 0.910394
H 1.082798 -2.515469 -0.583880
H 1.241329 1.244966 3.129905
H -0.502096 1.524600 2.829279
H 0.098516 -0.134488 3.045857
H -1.908340 1.808936 0.384740
H -1.708652 -3.087639 -0.497580
H -3.817893 -1.847797 -0.933258
H -5.688308 -0.505866 -0.292078
H -5.162801 -0.177958 -1.991221
H -6.059609 1.083182 -1.062717


