%chk=000211205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211205

0 1
O 0.465816 0.019231 2.087008
N -0.595321 0.177005 0.080403
C -1.881086 0.627403 0.672194
C -3.023348 -0.344555 0.292607
C -2.293128 2.002108 0.093871
C -3.741154 0.260093 -0.924995
C -3.299280 1.733211 -1.037364
C 1.791233 -0.558531 0.152840
C 0.517600 -0.101087 0.871062
C 1.573405 -1.888895 -0.587540
C 2.323716 0.527772 -0.796834
C 1.136188 -3.012485 0.362987
C 2.639747 1.835465 -0.057127
C 0.979010 -4.340841 -0.371903
C 3.222796 2.886395 -0.997823
H -1.750887 0.681138 1.784920
H -3.718143 -0.446493 1.145079
H -2.649066 -1.360688 0.086461
H -1.422136 2.577822 -0.259956
H -2.754220 2.613108 0.889974
H -4.835697 0.182022 -0.814975
H -3.484938 -0.293222 -1.844308
H -2.842651 1.927962 -2.022368
H -4.165082 2.412265 -0.961154
H -0.568122 0.082251 -0.927403
H 2.553056 -0.724886 0.962812
H 0.829322 -1.769272 -1.396925
H 2.516314 -2.179160 -1.093314
H 3.241234 0.154021 -1.294461
H 1.603415 0.721403 -1.613371
H 0.181790 -2.742003 0.858834
H 1.873084 -3.121116 1.183957
H 3.347714 1.638608 0.772840
H 1.723159 2.230701 0.426132
H 1.919373 -4.663533 -0.832968
H 0.226620 -4.279451 -1.165976
H 0.664058 -5.134962 0.315523
H 3.442289 3.816334 -0.459853
H 4.158648 2.546798 -1.455925
H 2.529770 3.134766 -1.809263


%chk=000211205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211205

0 1
O 0.485004 -0.063461 2.226667
N -0.563252 0.319757 0.184943
C -1.842987 0.778920 0.763612
C -2.979843 -0.259035 0.551699
C -2.385227 2.039002 0.029989
C -3.427658 -0.028898 -0.915857
C -3.282100 1.512957 -1.143632
C 1.758746 -0.544720 0.165361
C 0.519143 -0.078740 0.956135
C 1.473927 -1.855503 -0.623330
C 2.321956 0.566780 -0.764804
C 1.017235 -3.035314 0.264318
C 2.685198 1.876653 -0.029752
C 0.787191 -4.330051 -0.543884
C 3.293071 2.936861 -0.972700
H -1.636024 0.958119 1.831777
H -3.810589 -0.025994 1.246005
H -2.645817 -1.290453 0.757931
H -1.563590 2.693228 -0.311343
H -2.994077 2.627714 0.740007
H -4.455065 -0.386393 -1.103945
H -2.764233 -0.587227 -1.604903
H -2.835846 1.731025 -2.131043
H -4.269295 2.008264 -1.127157
H -0.478392 0.279622 -0.832844
H 2.515542 -0.764359 0.943131
H 0.708600 -1.667715 -1.407466
H 2.400101 -2.143396 -1.162665
H 3.226883 0.168611 -1.268723
H 1.596706 0.790051 -1.577344
H 0.087596 -2.758885 0.799346
H 1.779016 -3.212612 1.049330
H 3.398641 1.647895 0.786836
H 1.780326 2.287282 0.459808
H 1.712931 -4.648135 -1.060178
H 0.006943 -4.185181 -1.315540
H 0.463683 -5.160417 0.110020
H 3.545999 3.863766 -0.426223
H 4.219085 2.562459 -1.449083
H 2.585572 3.204224 -1.780804


