%chk=000194922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194922

0 1
O -0.614125 -2.318795 -0.028494
O -1.765375 2.692078 0.587083
N -2.127188 -0.707341 -0.589878
N -0.145078 1.194452 0.088678
N 6.557726 -0.170769 0.414505
C -2.466912 0.740108 -0.686455
C -3.898601 0.887678 -0.126394
C -3.319679 -1.505810 -0.172871
C -4.313528 -0.491279 0.415770
C 0.283210 -0.099572 -0.493030
C -0.833151 -1.153626 -0.303228
C -1.466462 1.631836 0.066695
C 1.585570 -0.590049 0.157689
C 2.814230 0.163010 -0.361829
C 4.093097 -0.338134 0.319541
C 5.328125 0.423094 -0.189592
H -2.433639 1.036858 -1.769857
H -4.587264 1.226806 -0.920145
H -3.939483 1.664920 0.664010
H -3.028053 -2.298805 0.549311
H -3.728400 -2.012600 -1.073549
H -4.277502 -0.501493 1.520802
H -5.352080 -0.737388 0.137281
H 0.435773 0.030919 -1.602102
H 1.693245 -1.682595 -0.042649
H 1.518093 -0.519242 1.262078
H 0.549069 1.728704 0.610291
H 2.699831 1.251615 -0.195952
H 2.899958 0.032731 -1.459508
H 4.230902 -1.423988 0.131155
H 4.008674 -0.238298 1.418460
H 5.219034 1.510027 0.014694
H 5.412214 0.311463 -1.294613
H 6.529878 -0.105417 1.427209
H 7.381791 0.336102 0.106393


%chk=000194922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194922

0 1
O -0.634480 -2.478068 -0.058189
O -1.805860 2.689650 0.666071
N -2.145309 -0.734718 -0.405316
N -0.179973 1.081817 0.188855
N 6.584422 -0.072630 0.391561
C -2.414907 0.702775 -0.691866
C -3.915603 0.895370 -0.350284
C -3.383702 -1.473253 -0.066072
C -4.296606 -0.355426 0.491839
C 0.236996 -0.184127 -0.466581
C -0.877749 -1.254542 -0.290825
C -1.456302 1.598593 0.127139
C 1.583040 -0.678542 0.095820
C 2.787098 0.207033 -0.296200
C 4.122958 -0.356062 0.237475
C 5.338039 0.517969 -0.134679
H -2.223874 0.920842 -1.764416
H -4.512596 0.934351 -1.278113
H -4.054218 1.843461 0.194701
H -3.144416 -2.274408 0.652232
H -3.817784 -1.941522 -0.971640
H -4.065688 -0.181985 1.558129
H -5.366886 -0.606846 0.407516
H 0.356506 -0.009371 -1.561261
H 1.732308 -1.708046 -0.274809
H 1.504452 -0.759354 1.197889
H 0.525823 1.623204 0.694791
H 2.656674 1.243911 0.083161
H 2.837566 0.287543 -1.402238
H 4.293319 -1.375955 -0.156802
H 4.065377 -0.450214 1.343002
H 5.146460 1.563810 0.215880
H 5.422470 0.564490 -1.238007
H 6.601969 -0.162794 1.412609
H 7.444377 0.350244 0.030128


