%chk=000231873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231873

0 1
O 0.658504 2.525850 0.500650
O -2.478174 -0.780635 -0.316935
O 2.039246 -1.743661 -0.641593
N -0.928511 0.963252 0.115990
N 1.439429 0.361724 -0.079636
N -0.291356 -1.323434 -0.494217
C 2.051852 3.104733 0.630454
C -3.688245 0.095171 -0.067807
C 1.855967 -3.198420 -1.020395
C 2.741434 3.027925 -0.718406
C 1.643248 4.527349 1.010175
C 2.780425 2.381061 1.746864
C -3.701744 1.214187 -1.091749
C -4.758915 -0.963452 -0.328509
C -3.662308 0.567238 1.373510
C 1.121209 -3.270349 -2.345469
C 3.335277 -3.562419 -1.139268
C 1.160157 -3.917178 0.119833
C 0.423406 1.257015 0.171487
C -1.225542 -0.338726 -0.220918
C 1.021698 -0.916721 -0.408443
H 2.084111 3.363275 -1.529612
H 3.647520 3.641943 -0.742024
H 3.042724 1.994465 -0.962418
H 1.046582 4.539110 1.932108
H 1.019827 4.985555 0.230757
H 2.520092 5.163672 1.163362
H 3.080793 1.363279 1.443146
H 3.691542 2.911425 2.042070
H 2.149982 2.269891 2.637246
H -2.932247 1.974631 -0.872747
H -4.667576 1.729315 -1.111323
H -3.496330 0.841576 -2.102465
H -4.652633 -1.816141 0.355401
H -4.680070 -1.369452 -1.345879
H -5.763967 -0.549347 -0.203571
H -3.428867 -0.251820 2.064352
H -4.623307 0.997991 1.672657
H -2.894286 1.343813 1.532929
H 1.532614 -2.563724 -3.076227
H 1.173044 -4.274006 -2.779708
H 0.052142 -3.020482 -2.231340
H 3.866191 -3.391156 -0.193274
H 3.839312 -2.944805 -1.894649
H 3.463536 -4.612982 -1.416907
H 0.089936 -3.652536 0.174068
H 1.218003 -5.004326 0.004429
H 1.597776 -3.656174 1.090904


%chk=000231873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231873

0 1
O 0.621041 2.548979 0.509879
O -2.482262 -0.825642 -0.322480
O 2.079469 -1.725721 -0.635280
N -0.942381 0.931496 0.111158
N 1.418777 0.385956 -0.067986
N -0.258211 -1.321403 -0.490061
C 2.027328 3.147806 0.643232
C -3.715119 0.054055 -0.077227
C 1.907910 -3.200078 -1.023338
C 2.751994 3.072094 -0.713950
C 1.690889 4.599406 1.025235
C 2.789955 2.427722 1.771625
C -3.746592 1.198745 -1.107757
C -4.848331 -0.957217 -0.321951
C -3.710462 0.557015 1.378912
C 1.156969 -3.297008 -2.364955
C 3.376044 -3.637367 -1.164187
C 1.199444 -3.955768 0.116950
C 0.392990 1.245261 0.172716
C -1.202001 -0.360494 -0.222746
C 1.027163 -0.888368 -0.396738
H 2.141750 3.542924 -1.505124
H 3.708337 3.622598 -0.645023
H 2.961423 2.026987 -0.988187
H 1.116578 4.629395 1.966943
H 1.087902 5.078681 0.235175
H 2.622675 5.177275 1.159787
H 3.008347 1.385073 1.495018
H 3.743187 2.955654 1.958405
H 2.201236 2.442379 2.706127
H -2.920983 1.905811 -0.935646
H -4.706000 1.740517 -1.016636
H -3.675987 0.796659 -2.134108
H -4.772052 -1.802822 0.382721
H -4.797620 -1.355597 -1.349671
H -5.826674 -0.464359 -0.180343
H -3.616628 -0.291292 2.080089
H -4.667194 1.070319 1.587270
H -2.883124 1.262802 1.548247
H 1.662746 -2.688345 -3.135554
H 1.157043 -4.349305 -2.704177
H 0.115665 -2.957084 -2.257622
H 3.915099 -3.497586 -0.211622
H 3.885157 -3.042990 -1.941980
H 3.423690 -4.704547 -1.445177
H 0.155722 -3.622394 0.220248
H 1.208820 -5.038504 -0.106308
H 1.729769 -3.798218 1.072999


