%chk=000253481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253481

0 1
O 3.945744 -1.571021 0.012631
O 5.396430 0.427936 0.563475
O -2.607632 -1.307656 0.292630
O -0.437897 -1.870113 0.536881
N -2.498839 0.891598 -0.322422
C 1.317479 1.067758 -0.049781
C 3.254980 -0.389738 0.067575
C 4.082231 0.746002 0.378797
C 1.897784 -0.219494 -0.152793
C 2.132747 2.167721 0.242974
C -0.107583 1.306500 -0.248400
C 3.511109 2.012124 0.460663
C -1.141387 0.451287 -0.112581
C -3.297056 -0.121353 -0.081683
C -4.750674 -0.231515 -0.135228
C -1.202588 -0.990752 0.274856
C 3.158661 -2.802863 -0.141816
C 6.323362 1.519403 0.887795
C -5.520098 0.884408 -0.508789
C -5.376494 -1.449073 0.186181
C 4.204305 -3.887712 0.018984
C 7.650215 0.799315 1.018799
C -6.911541 0.776182 -0.558915
C -6.767696 -1.545308 0.132581
C -7.534587 -0.434958 -0.239275
H 1.271184 -1.075423 -0.406184
H 1.704060 3.167286 0.317008
H -0.365235 2.346351 -0.529179
H 4.111307 2.886816 0.693302
H 2.380653 -2.832020 0.641984
H 2.700527 -2.790465 -1.145080
H 6.309006 2.247207 0.059022
H 5.993909 1.988801 1.830129
H -5.026596 1.827498 -0.757073
H -4.767132 -2.309790 0.475415
H 4.683426 -3.834351 1.006857
H 3.763726 -4.884600 -0.093941
H 5.007551 -3.779791 -0.723352
H 8.461862 1.493424 1.262056
H 7.609021 0.029389 1.803107
H 7.912184 0.275967 0.087607
H -7.511451 1.638356 -0.847883
H -7.256128 -2.486864 0.380974
H -8.620848 -0.514468 -0.279812


%chk=000253481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253481

0 1
O 4.047489 -1.681347 0.297375
O 5.515272 0.511879 0.498764
O -2.717469 -1.540903 -0.129871
O -0.464733 -2.188553 -0.013419
N -2.537132 0.763389 -0.014292
C 1.296975 0.899534 0.241991
C 3.342377 -0.480488 0.309834
C 4.145020 0.710275 0.419153
C 1.945688 -0.378304 0.223332
C 2.109276 2.068956 0.350512
C -0.134348 1.097302 0.158571
C 3.508302 1.976640 0.437688
C -1.216143 0.228696 0.048278
C -3.365741 -0.263552 -0.113569
C -4.820879 -0.248132 -0.209545
C -1.292757 -1.254990 -0.024187
C 3.253252 -2.931099 0.189327
C 6.390680 1.703140 0.609249
C -5.506767 0.998839 -0.201949
C -5.557795 -1.460147 -0.310963
C 4.251400 -4.083380 0.201180
C 7.823472 1.184136 0.672585
C -6.911085 1.028042 -0.295256
C -6.964250 -1.420648 -0.404037
C -7.644870 -0.180113 -0.396654
H 1.330374 -1.276608 0.140129
H 1.631289 3.055120 0.366553
H -0.455858 2.148591 0.186345
H 4.102900 2.890479 0.519522
H 2.548220 -2.989758 1.042194
H 2.663508 -2.908668 -0.748529
H 6.231814 2.353820 -0.274440
H 6.121733 2.268525 1.524469
H -4.922106 1.920974 -0.123063
H -5.021066 -2.413681 -0.315734
H 4.835521 -4.085752 1.137223
H 3.713470 -5.045263 0.119784
H 4.953651 -4.001269 -0.645923
H 8.528638 2.031127 0.754865
H 7.960581 0.526212 1.547095
H 8.069194 0.608879 -0.235778
H -7.437218 1.988820 -0.289323
H -7.530036 -2.355298 -0.482279
H -8.737841 -0.153421 -0.469112


