%chk=000257031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257031

0 1
O -0.079642 -1.672184 -1.476029
N -0.536455 -2.691501 0.506883
C 0.047819 -0.291024 0.536899
C -0.972643 0.765790 0.160641
C 1.452009 0.238481 0.317711
C -0.195145 -1.580870 -0.263751
C -1.577914 1.520397 1.177335
C 2.168763 0.730165 1.420195
C -1.304669 1.012236 -1.179180
C 2.034794 0.266100 -0.956884
C -0.884241 -3.986109 -0.132605
C -2.510027 2.509880 0.852279
C 3.457758 1.240667 1.244932
C -2.237988 2.001356 -1.497542
C 3.324429 0.775951 -1.125458
C -2.842793 2.751903 -0.484026
C 4.038675 1.264299 -0.026835
C -2.362480 -4.319211 0.050306
H -0.067121 -0.514990 1.632538
H -1.320564 1.346869 2.219595
H 1.724837 0.723171 2.412917
H -0.835156 0.422303 -1.973190
H 1.480687 -0.122740 -1.817903
H -0.728112 -2.615278 1.498311
H -0.629910 -3.931649 -1.220890
H -0.242922 -4.779232 0.312979
H -2.976144 3.094692 1.643271
H 4.009765 1.622024 2.102037
H -2.492875 2.187742 -2.539873
H 3.772516 0.792301 -2.117921
H -3.568366 3.522714 -0.734807
H 5.042266 1.661897 -0.161118
H -2.641766 -4.417122 1.104720
H -3.006016 -3.545662 -0.390064
H -2.612468 -5.265767 -0.444474


%chk=000257031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257031

0 1
O -0.218802 -1.668344 -1.566660
N -0.537599 -2.679083 0.502105
C 0.020511 -0.273012 0.471329
C -1.019749 0.805644 0.115450
C 1.467445 0.216233 0.265356
C -0.253360 -1.586927 -0.299101
C -1.734505 1.448488 1.157392
C 2.191486 0.697402 1.385876
C -1.269391 1.192417 -1.226297
C 2.089389 0.233669 -1.009382
C -0.854686 -4.008983 -0.049564
C -2.676911 2.462596 0.871577
C 3.507847 1.190319 1.241901
C -2.214308 2.201896 -1.512429
C 3.407197 0.722139 -1.152391
C -2.919532 2.843781 -0.467381
C 4.121471 1.204720 -0.031362
C -2.340086 -4.386398 0.129592
H -0.094420 -0.478372 1.553646
H -1.550086 1.159628 2.200388
H 1.720339 0.694227 2.377363
H -0.741099 0.683954 -2.038311
H 1.546875 -0.157287 -1.875788
H -0.574550 -2.552184 1.514833
H -0.595131 -3.965823 -1.120864
H -0.202678 -4.764381 0.430067
H -3.218423 2.950968 1.689793
H 4.051250 1.559748 2.119123
H -2.400807 2.488382 -2.553790
H 3.877392 0.725225 -2.142486
H -3.649181 3.629423 -0.693910
H 5.142548 1.585218 -0.147762
H -2.626393 -4.418892 1.197497
H -2.988723 -3.654125 -0.381344
H -2.534431 -5.384667 -0.303467


