%chk=000219576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219576

0 1
O 0.251190 1.649908 0.446647
O -3.367303 -1.492890 -0.705884
N -0.952160 -0.247836 -0.114654
N 1.431963 -0.221531 -0.209001
N -4.386947 0.531730 -0.754161
N 4.437521 -0.762969 1.262013
C -2.207772 0.324188 0.431954
C -2.426280 -0.011220 1.905763
C 2.709926 0.534293 -0.237333
C 0.239867 0.482741 0.081154
C -3.344125 -0.314282 -0.397031
C 3.254987 0.684528 -1.658365
C 3.677574 -0.197719 0.603249
H -2.164479 1.442345 0.299836
H -0.940788 -1.269749 -0.181100
H -1.615112 0.398545 2.525454
H -3.365332 0.411818 2.282894
H -2.461282 -1.094396 2.086170
H 2.532073 1.560511 0.220700
H 1.416684 -1.108181 -0.705615
H 4.200254 1.245040 -1.664100
H 2.549428 1.236105 -2.295227
H 3.451698 -0.279685 -2.143141
H -4.390648 1.518702 -0.574012
H -5.155238 0.172404 -1.302212


%chk=000219576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219576

0 1
O 0.328092 1.617761 0.658262
O -3.033560 -1.404798 -1.180021
N -0.936178 -0.176016 -0.142778
N 1.396730 -0.169293 -0.417734
N -4.585731 0.125952 -0.386698
N 4.274406 -1.173086 1.269967
C -2.212408 0.408662 0.271893
C -2.423598 0.329610 1.808866
C 2.725187 0.424134 -0.227232
C 0.256323 0.488014 0.071332
C -3.306163 -0.368449 -0.498301
C 3.433423 0.758294 -1.565324
C 3.581700 -0.456923 0.612859
H -2.235292 1.476028 -0.027533
H -1.023301 -1.038340 -0.695775
H -1.582645 0.841977 2.303718
H -3.361311 0.827153 2.118546
H -2.454846 -0.721559 2.143358
H 2.536716 1.360263 0.335942
H 1.325948 -1.085594 -0.862301
H 4.416404 1.224497 -1.378469
H 2.806141 1.462805 -2.136438
H 3.591823 -0.151194 -2.171106
H -4.799218 0.958061 0.159990
H -5.342942 -0.365560 -0.861029


