%chk=000217622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217622

0 1
O 3.738920 -0.039996 0.715000
O 0.053912 -1.713317 -0.593511
O -2.734567 -1.570037 0.179399
N 1.432146 0.846959 -0.780773
N -2.594993 0.700786 0.383785
N -1.927424 1.863390 0.342325
C 2.237696 -0.336885 -1.198221
C 2.292602 1.796078 -0.007606
C 2.941898 -1.003933 -0.007996
C 2.979888 1.093964 1.176135
C 0.119680 0.649763 -0.286217
C -0.583202 -0.542384 -0.224876
C -0.644256 1.854995 0.034761
C -2.014025 -0.590325 0.093920
C -4.045747 0.809219 0.694326
C -0.251738 -2.887544 0.211527
H 2.989355 0.034400 -1.933097
H 1.596548 -1.068565 -1.744795
H 1.708190 2.674575 0.336840
H 3.060366 2.184869 -0.717600
H 2.219807 -1.471581 0.684806
H 3.700187 -1.741532 -0.323990
H 3.758713 1.723181 1.643422
H 2.255174 0.759341 1.938492
H -0.144769 2.833105 0.003475
H -4.580595 1.338295 -0.112920
H -4.202782 1.357550 1.638477
H -4.472833 -0.209030 0.794629
H -1.300146 -3.181590 0.057347
H -0.046838 -2.693695 1.265336
H 0.434931 -3.627457 -0.211996


%chk=000217622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217622

0 1
O 4.337637 0.449508 -0.102381
O -0.124168 -1.896268 -0.146905
O -3.021842 -1.565225 -0.195210
N 1.441378 0.475283 0.012583
N -2.744121 0.739042 0.189866
N -1.998240 1.884652 0.303715
C 2.162521 -0.363273 -0.985030
C 2.224592 1.661458 0.429609
C 3.551557 -0.747277 -0.455783
C 3.617319 1.216982 0.920909
C 0.039605 0.501480 0.060273
C -0.763627 -0.661499 -0.011330
C -0.668206 1.754128 0.224748
C -2.223203 -0.578972 -0.029767
C -4.204958 0.939075 0.228373
C -0.688588 -3.079431 0.553776
H 2.279758 0.215987 -1.928010
H 1.574631 -1.269512 -1.189864
H 1.713519 2.175473 1.262690
H 2.343710 2.381239 -0.411569
H 3.447943 -1.403068 0.435059
H 4.137422 -1.264358 -1.232937
H 4.248965 2.094616 1.136838
H 3.503506 0.604106 1.841519
H -0.129584 2.701834 0.285819
H -4.534944 1.496099 -0.665144
H -4.470018 1.512422 1.130756
H -4.679115 -0.052617 0.240860
H -1.719587 -3.265589 0.218127
H -0.665608 -2.909774 1.646255
H -0.012156 -3.903922 0.282558


