%chk=000249833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249833

0 1
O 0.512407 2.354986 -0.630914
O -0.891991 2.476025 1.137855
O -5.036994 -0.236818 0.455972
O 4.679868 0.292114 -0.385038
O -4.059596 0.087156 -1.562332
O 3.523553 -1.349744 -1.433573
N 0.012553 -0.652188 2.770703
C -0.161828 0.268573 0.320652
C -1.471152 -0.235048 -0.341273
C 1.051855 -0.235641 -0.495093
C -2.720510 0.058402 0.489603
C 2.394328 0.216630 0.081377
C -0.237645 1.810690 0.372027
C -0.067156 -0.234964 1.697943
C -3.956525 -0.024623 -0.362814
C 3.533065 -0.406453 -0.679169
C 0.530160 3.819781 -0.759225
C 1.451707 4.412393 0.282539
C -6.362739 -0.339794 -0.158122
C 5.940276 -0.171357 -0.969124
C -6.530743 -1.702676 -0.795012
C 6.440014 -1.385793 -0.216385
H -1.572643 0.222782 -1.353336
H -1.394290 -1.327950 -0.524217
H 1.026664 -1.346123 -0.559006
H 0.960275 0.127290 -1.543711
H -2.802660 -0.631631 1.359677
H -2.677839 1.076155 0.955989
H 2.495419 -0.052867 1.156541
H 2.480201 1.329364 0.048010
H 0.907276 3.922984 -1.793744
H -0.507192 4.190207 -0.676506
H 1.051766 4.272746 1.298992
H 2.448897 3.954454 0.257889
H 1.581433 5.492173 0.132606
H -6.478569 0.486626 -0.881397
H -7.008994 -0.186242 0.725808
H 6.573487 0.723453 -0.826835
H 5.775112 -0.372902 -2.042476
H -5.879574 -1.813611 -1.675434
H -6.273448 -2.509692 -0.096845
H -7.562844 -1.865576 -1.127577
H 6.460923 -1.210412 0.867032
H 5.792314 -2.258260 -0.391926
H 7.453876 -1.662819 -0.529132


%chk=000249833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249833

0 1
O -0.087058 2.467477 -0.444478
O -0.128743 2.111026 1.859950
O -5.072261 0.214697 -0.088759
O 4.872890 0.243442 -0.126738
O -3.881494 -1.050836 -1.649219
O 3.679832 -1.044167 -1.667313
N -0.085439 -1.390967 2.441807
C -0.097583 0.173838 0.274910
C -1.377971 -0.147655 -0.572985
C 1.177408 -0.142613 -0.581678
C -2.695150 0.130537 0.174424
C 2.498531 0.142092 0.156412
C -0.102898 1.666876 0.693414
C -0.091592 -0.663398 1.497429
C -3.903086 -0.313403 -0.636034
C 3.703412 -0.298413 -0.660408
C -0.075149 3.951949 -0.222045
C 1.354943 4.456410 -0.018810
C -6.361537 -0.193582 -0.734050
C 6.160225 -0.162813 -0.777433
C -6.860937 -1.518781 -0.152710
C 6.671454 -1.480049 -0.188386
H -1.328503 0.456074 -1.495652
H -1.341720 -1.209735 -0.873780
H 1.144084 -1.205140 -0.881084
H 1.118872 0.460033 -1.504375
H -2.720454 -0.413349 1.139720
H -2.815135 1.200221 0.425472
H 2.532199 -0.400554 1.122220
H 2.615199 1.213017 0.404126
H -0.531790 4.349298 -1.142051
H -0.711551 4.176522 0.651663
H 1.786311 4.056916 0.914441
H 2.000140 4.171598 -0.867823
H 1.349686 5.559751 0.053052
H -6.199978 -0.266772 -1.823938
H -7.040148 0.642884 -0.503136
H 6.835483 0.679542 -0.558361
H 5.991555 -0.246323 -1.865504
H -6.172912 -2.343103 -0.404601
H -6.958677 -1.455735 0.944710
H -7.854372 -1.759098 -0.574944
H 6.777591 -1.406902 0.907619
H 5.986048 -2.310304 -0.427585
H 7.662773 -1.718709 -0.616489


