%chk=000269065.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269065

0 1
O -1.431314 1.885985 0.365615
O 5.368411 -1.190337 -0.331538
O 5.433292 0.913072 0.133438
N -0.865025 -0.320321 -0.051512
N 4.821194 -0.121794 -0.088191
C 0.552999 -0.229402 -0.056791
C 1.311953 -1.413778 -0.331386
C 2.612720 1.065834 0.203154
C 1.211763 0.977319 0.201966
C 3.357415 -0.103134 -0.065753
C 2.694294 -1.324304 -0.329358
C 0.654965 -2.725441 -0.617328
C 3.261060 2.371527 0.484357
C -1.782695 0.744340 0.170992
C -3.208644 0.286636 0.120728
C -4.042685 0.783114 -0.889225
C -3.709140 -0.586190 1.095563
C -5.383385 0.389355 -0.930165
C -5.051691 -0.971070 1.050621
C -5.886716 -0.486534 0.037390
H 0.627160 1.885033 0.409276
H 3.307279 -2.212758 -0.535631
H -1.260683 -1.247028 -0.244754
H 1.390649 -3.519556 -0.819379
H 0.054800 -3.076332 0.234021
H 0.011178 -2.675011 -1.507101
H 3.936253 2.308949 1.357615
H 3.914918 2.687045 -0.349544
H 2.547523 3.183995 0.673053
H -3.649546 1.478828 -1.632481
H -3.061464 -0.952337 1.892336
H -6.037322 0.771427 -1.713937
H -5.449301 -1.645485 1.808555
H -6.933815 -0.788947 0.005095


%chk=000269065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269065

0 1
O -1.481094 1.945331 -0.042603
O 5.437857 -1.339075 -0.014718
O 5.547335 0.927247 0.138473
N -0.825397 -0.313363 -0.083394
N 4.871863 -0.173643 0.049782
C 0.585796 -0.217881 -0.051583
C 1.330370 -1.443535 -0.124448
C 2.674588 1.115753 0.091930
C 1.262975 1.024278 0.051582
C 3.396537 -0.113684 0.020270
C 2.727733 -1.359418 -0.086057
C 0.637081 -2.790001 -0.236443
C 3.294644 2.494340 0.204128
C -1.782459 0.714177 -0.039892
C -3.215069 0.248683 -0.011595
C -4.202731 1.171130 -0.443988
C -3.619102 -1.031414 0.455522
C -5.565756 0.812538 -0.438473
C -4.985131 -1.387442 0.464967
C -5.960888 -0.469908 0.011105
H 0.665934 1.936446 0.095006
H 3.340576 -2.263271 -0.136801
H -1.197366 -1.259007 -0.188160
H 1.377802 -3.603464 -0.290953
H -0.008839 -3.001142 0.639944
H 0.010343 -2.864015 -1.148017
H 3.923893 2.585372 1.106314
H 3.966316 2.707893 -0.645137
H 2.502329 3.260161 0.238931
H -3.875948 2.162773 -0.773117
H -2.888939 -1.743233 0.861394
H -6.319400 1.529695 -0.780645
H -5.289073 -2.371550 0.837438
H -7.020380 -0.748069 0.018940


