%chk=000239194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239194

0 1
O -3.416879 -0.287924 0.143010
O 3.416952 0.287926 0.142773
O -3.008308 1.915192 -0.311088
O 3.008284 -1.915302 -0.310677
N -1.431231 0.282380 -0.834904
N 1.431210 -0.282600 -0.834884
C -0.952816 -1.110506 -0.569433
C 0.952791 1.110369 -0.569768
C -0.425984 1.301185 -1.243470
C 0.425941 -1.301515 -1.243125
C -0.907785 -1.446552 0.921780
C 0.907769 1.446848 0.921356
C -2.634304 0.754808 -0.306035
C 2.634330 -0.754899 -0.305978
C -4.793055 0.060106 0.580829
C 4.793130 -0.060026 0.580650
C -5.495617 -1.285024 0.512504
C -4.706743 0.650333 1.976900
C 5.495723 1.285071 0.511977
C 4.706838 -0.649907 1.976868
H -1.695526 -1.795155 -1.070018
H 1.695469 1.794898 -1.070569
H -0.814371 2.326674 -1.025344
H -0.320684 1.232801 -2.352337
H 0.814333 -2.326948 -1.024743
H 0.320601 -1.233425 -2.352005
H -0.508313 -2.451777 1.093967
H -0.276690 -0.740338 1.485587
H -1.916167 -1.410758 1.362346
H 0.508252 2.452105 1.093253
H 0.276709 0.740776 1.485379
H 1.916157 1.411237 1.361930
H -5.196220 0.791990 -0.154498
H 5.196262 -0.792100 -0.154506
H -6.546217 -1.199485 0.811894
H -5.463574 -1.698032 -0.504486
H -5.017842 -2.024466 1.168596
H -5.700619 0.820080 2.405176
H -4.185576 1.620400 1.955917
H -4.153484 -0.001482 2.662906
H 5.018004 2.024677 1.167923
H 5.463637 1.697844 -0.505107
H 6.546337 1.199574 0.811330
H 4.153605 0.002086 2.662726
H 4.185653 -1.619971 1.956136
H 5.700720 -0.819565 2.405164


%chk=000239194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239194

0 1
O -3.537164 -0.335791 0.118593
O 3.537161 0.335771 0.118654
O -3.102065 1.922193 -0.401009
O 3.102119 -1.922341 -0.400416
N -1.390656 0.311458 -0.398117
N 1.390644 -0.311680 -0.397778
C -0.973989 -1.118781 -0.248217
C 0.973948 1.118597 -0.248293
C -0.404428 1.282346 -0.923746
C 0.404514 -1.282685 -0.923375
C -0.956498 -1.590056 1.223368
C 0.956167 1.590226 1.223176
C -2.696147 0.736376 -0.238000
C 2.696121 -0.736551 -0.237410
C -4.981457 0.018117 0.350101
C 4.981533 -0.017985 0.349916
C -5.752205 -1.284689 0.122820
C -5.140695 0.599565 1.762231
C 5.752147 1.284808 0.122105
C 5.141147 -0.599042 1.762165
H -1.701080 -1.743585 -0.802088
H 1.701143 1.743274 -0.802174
H -0.797532 2.294056 -0.734983
H -0.303892 1.164944 -2.022441
H 0.797583 -2.294353 -0.734312
H 0.304178 -1.165531 -2.022115
H -0.806181 -2.684856 1.259823
H -0.137036 -1.114462 1.787852
H -1.917258 -1.359063 1.710138
H 0.805871 2.685039 1.259333
H 0.136575 1.114793 1.787608
H 1.916820 1.359328 1.710202
H -5.250896 0.782901 -0.401770
H 5.250845 -0.782953 -0.401812
H -6.835561 -1.107310 0.249539
H -5.578209 -1.671260 -0.895969
H -5.438892 -2.056345 0.848371
H -6.202690 0.840388 1.953757
H -4.552911 1.526725 1.865382
H -4.807574 -0.129064 2.523188
H 5.438971 2.056632 0.847536
H 5.577871 1.671106 -0.896740
H 6.835546 1.107525 0.248597
H 4.808165 0.129773 2.523006
H 4.553447 -1.526210 1.865707
H 6.203203 -0.839746 1.953498


