%chk=000197263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197263

0 1
O 1.962389 -1.514669 0.628075
O 4.672960 0.746006 -0.064632
O -2.940664 -2.374570 0.226360
N 2.440659 1.072895 -0.400842
C 3.288260 -1.238067 0.095736
C 1.123318 0.539794 -0.416209
C 0.927670 -0.780234 0.076560
C 3.557591 0.264782 -0.099749
C -0.332049 -1.371562 0.108171
C -1.437253 -0.642569 -0.364172
C 0.008131 1.245537 -0.891318
C 4.214567 -1.838518 1.134148
C -1.258932 0.654233 -0.859424
C 2.653557 2.514858 -0.675569
C -2.780184 -1.298465 -0.310229
C -3.939929 -0.571737 -0.940676
C -4.941442 -0.040562 0.046058
C -4.384310 1.133392 0.847959
C -4.059101 -0.479070 -2.263888
H 3.358110 -1.747171 -0.895233
H -0.460312 -2.384700 0.504101
H 0.115817 2.254851 -1.283882
H 4.179811 -2.935617 1.115984
H 5.255832 -1.519381 0.970915
H 3.929192 -1.527333 2.150923
H -2.117062 1.221658 -1.227708
H 3.721267 2.773162 -0.514631
H 2.049277 3.137908 0.004198
H 2.401851 2.756922 -1.721163
H -5.242573 -0.863838 0.733487
H -5.873132 0.265684 -0.472824
H -5.119582 1.493591 1.577698
H -3.482652 0.853997 1.407442
H -4.123710 1.978020 0.200203
H -4.897172 -0.001712 -2.752794
H -3.337097 -0.882613 -2.960874


%chk=000197263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197263

0 1
O 2.063760 -1.392262 0.806911
O 4.944164 0.563808 -0.225738
O -2.997274 -1.587135 1.090652
N 2.668658 1.034958 -0.493273
C 3.360888 -1.291260 0.081600
C 1.319381 0.586961 -0.439344
C 1.025120 -0.640690 0.229514
C 3.741725 0.177002 -0.198984
C -0.294379 -1.076993 0.389446
C -1.370705 -0.319743 -0.145290
C 0.243721 1.347625 -0.958886
C 4.399923 -2.014396 0.932208
C -1.084364 0.897668 -0.819101
C 2.969706 2.426724 -0.885989
C -2.767146 -0.809601 0.108419
C -3.912792 -0.405623 -0.788986
C -5.281170 -0.353314 -0.127800
C -5.409217 0.815345 0.883976
C -3.731915 -0.229064 -2.129941
H 3.238053 -1.797397 -0.901849
H -0.500942 -1.998678 0.941175
H 0.437081 2.300053 -1.459993
H 4.119655 -3.074574 1.044239
H 5.389581 -1.942620 0.453622
H 4.463543 -1.554443 1.932132
H -1.902084 1.512775 -1.204307
H 4.049494 2.583211 -0.745601
H 2.404526 3.133681 -0.254678
H 2.718476 2.601566 -1.947886
H -5.439247 -1.304619 0.414543
H -6.064816 -0.270106 -0.903161
H -6.410350 0.813316 1.351464
H -4.661220 0.718311 1.690514
H -5.263316 1.792789 0.388894
H -4.583728 -0.027956 -2.790939
H -2.749687 -0.320417 -2.605361


